54407030 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 17 18 19 20 21 22 23 24 25 26 27 28 29 30 31 32 33 34 35 36 37 38 39 40 41 42 43 44 45 46 47 48 49 8 8 7 7 7 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 6 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2 3 3 3 4 4 4 5 5 5 6 6 7 7 8 8 8 11 11 11 12 12 12 13 13 14 14 14 15 15 16 16 16 17 17 18 18 18 19 19 20 20 21 21 22 22 23 23 24 9 10 6 8 9 9 10 11 6 34 35 7 25 10 13 12 26 27 14 28 29 16 30 31 15 17 18 32 33 19 20 36 37 38 23 39 40 41 42 21 43 22 44 24 45 24 46 47 48 49 2 2 1 1 1 1 1 1 1 1 1 1 1 1 2 1 1 1 1 1 1 1 1 1 1 1 1 1 1 2 1 1 1 1 2 1 1 1 1 1 1 2 1 2 1 1 1 1 1 1 6 3 5 7 25 3 1 7 6 10 13 15 17 3 1 1 5 255 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 17 18 19 20 21 22 23 24 25 26 27 28 29 30 31 32 33 34 35 36 37 38 39 40 41 42 43 44 45 46 47 48 49 7.1962 5.4641 5.4641 6.3301 3.732 4.5981 4.5981 5.4641 6.3301 5.4641 7.1962 6.3301 3.732 8.0622 3.732 6.3301 2.866 8.9282 2.866 4.5981 2.866 4.5981 2 3.732 4.5981 4.8535 5.252 7.5947 6.7976 6.9407 6.5422 7.6636 8.4607 3.732 3.1951 5.7101 6.3301 6.9501 2.866 9.2382 9.4651 8.6182 2.3291 5.135 2.3291 5.135 2 1.4631 3.732 -1.25 1.75 -1.25 0.25 -1.25 -0.75 0.25 -2.25 -0.75 0.75 0.75 -2.75 0.75 0.25 1.75 -3.75 0.25 0.75 2.25 2.25 3.25 3.25 0.75 3.75 -1.37 -2.1423 -2.8326 1.225 1.225 -2.8577 -2.1674 -0.2249 -0.2249 -1.87 -0.94 -3.75 -4.37 -3.75 -0.37 0.2131 1.06 1.2869 1.94 1.94 3.56 3.56 1.37 0.44 4.37 3 1 8 8 8 8 8 8 6 7 15 15 19 20 21 22 5 13 19 20 21 22 24 24 0 Compound Canonicalized 5 2021.05.07 1 Compound Complexity 7 E_COMPLEXITY 3.4.8.18 Cactvs Xemistry GmbH 2021.05.07 521 Count Hydrogen Bond Acceptor 5 E_NHACCEPTORS 3.4.8.18 Cactvs Xemistry GmbH 2021.05.07 3 Count Hydrogen Bond Donor 5 E_NHDONORS 3.4.8.18 Cactvs Xemistry GmbH 2021.05.07 1 Count Rotatable Bond 5 E_NROTBONDS 3.4.8.18 Cactvs Xemistry GmbH 2021.05.07 6 Fingerprint SubStructure Keys 16 extended 2 E_SCREEN 3.4.8.18 Cactvs Xemistry GmbH 2021.05.07 00000371E07B30000000000000000000000000000000000000003C4000000000000000010000001E00100000000C00C198043300834000008802215210008200002000000888810800C888202A8051108420002887228889070080800E00000000000000000000000000000000000000000000 IUPAC Name Allowed 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.05.07 6-amino-5-(1-phenylprop-2-enylidene)-1,3-dipropyl-hexahydropyrimidine-2,4-dione IUPAC Name CAS-like Style 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.05.07 6-amino-5-(1-phenylprop-2-enylidene)-1,3-dipropyl-1,3-diazinane-2,4-dione IUPAC Name Markup 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.05.07 6-amino-5-(1-phenylprop-2-enylidene)-1,3-dipropyl-1,3-diazinane-2,4-dione IUPAC Name Preferred 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.05.07 6-amino-5-(1-phenylprop-2-enylidene)-1,3-dipropyl-1,3-diazinane-2,4-dione IUPAC Name Systematic 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.05.07 6-azanyl-5-(1-phenylprop-2-enylidene)-1,3-dipropyl-1,3-diazinane-2,4-dione IUPAC Name Traditional 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.05.07 6-amino-5-(1-phenylprop-2-enylidene)-1,3-dipropyl-5,6-dihydrouracil InChI Standard 1 1.0.6 InChI iupac.org 2021.05.07 InChI=1S/C19H25N3O2/c1-4-12-21-17(20)16(18(23)22(13-5-2)19(21)24)15(6-3)14-10-8-7-9-11-14/h6-11,17H,3-5,12-13,20H2,1-2H3 InChIKey Standard 1 1.0.6 InChI iupac.org 2021.05.07 VRKXVGZKEAVNKD-UHFFFAOYSA-N Log P XLogP3-AA 7 3.0 sioc-ccbg.ac.cn 2021.05.07 3.2 Mass Exact 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 327.19467705 Molecular Formula 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 C19H25N3O2 Molecular Weight 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 327.4 SMILES Canonical 1 2.3.0 OEChem OpenEye Scientific Software 2021.05.07 CCCN1C(C(=C(C=C)C2=CC=CC=C2)C(=O)N(C1=O)CCC)N SMILES Isomeric 1 2.3.0 OEChem OpenEye Scientific Software 2021.05.07 CCCN1C(C(=C(C=C)C2=CC=CC=C2)C(=O)N(C1=O)CCC)N Topological Polar Surface Area 7 E_TPSA 3.4.8.18 Cactvs Xemistry GmbH 2021.05.07 66.6 Weight MonoIsotopic 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 327.19467705 24 1 0 1 1 0 1 0 1 -1