16409855 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 8 8 7 7 7 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 2 3 3 3 4 4 4 5 6 6 7 7 8 9 9 10 10 10 12 12 13 13 14 14 15 15 16 17 18 18 19 19 21 21 22 22 23 23 24 24 24 25 27 27 27 14 27 26 5 9 32 15 20 35 11 8 11 20 26 20 12 13 11 18 19 16 28 17 29 16 17 23 24 30 31 21 33 22 34 25 36 25 37 26 38 39 40 41 42 43 44 45 1 1 2 1 1 1 1 1 1 2 2 1 2 1 1 2 1 1 2 1 1 1 2 1 2 1 2 1 1 1 1 1 2 1 2 1 1 1 1 1 1 1 1 1 1 1 1 5 -1 3 11 6 10 1 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 8.0622 3.732 8.0622 3.732 7.1962 6.3301 4.5981 5.4641 8.0622 8.0622 7.1962 8.9282 7.1962 8.0622 2.866 8.9282 7.1962 8.9282 8.0622 4.5981 9.7942 8.9282 2.866 2 9.7942 3.732 8.9282 9.4651 6.6592 9.4651 6.6592 8.5991 8.9282 7.5252 3.732 10.3312 8.9282 2.3291 1.69 1.4631 2.31 10.3312 8.6182 9.4651 9.2382 -4 4.5 -0 1.5 0.5 2 3 1.5 -1 2 1.5 -1.5 -1.5 -3 2 -2.5 -2.5 1.5 3 2 2 3.5 3 1.5 3 3.5 -4.5 -1.19 -1.19 -2.81 -2.81 0.31 0.88 3.31 0.88 1.69 4.12 3.31 2.0369 1.19 0.9631 3.31 -5.0369 -4.81 -3.9631 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 8 4 4 7 7 9 9 10 10 12 13 14 14 15 18 19 21 22 23 15 20 20 26 12 13 18 19 16 17 16 17 23 21 22 25 25 26 0 Compound Canonicalized 5 2010.01.29 1 Compound Complexity 7 E_COMPLEXITY 3.4.6.11 Cactvs xemistry.com 2019.06.18 641 Count Hydrogen Bond Acceptor 5 E_NHACCEPTORS 3.4.6.11 Cactvs xemistry.com 2019.06.18 4 Count Hydrogen Bond Donor 5 E_NHDONORS 3.4.6.11 Cactvs xemistry.com 2019.06.18 2 Count Rotatable Bond 5 E_NROTBONDS 3.4.6.11 Cactvs xemistry.com 2019.06.18 6 Fingerprint SubStructure Keys 16 extended 2 E_SCREEN 3.4.6.11 Cactvs xemistry.com 2019.06.18 00000371E07BB000000000000000000000000000000000000000306080000000000000014000001E00180000000C0C81980233C682E20400AA0227727400920C01202200198800266CD88C26A284B99B80302064D81308E947B0C0000E00400000000000000080000000000000000000000000 IUPAC Name Allowed 1 2.6.6 LexiChem openeye.com 2019.06.18 N'-(4-methoxyanilino)-N-[(6-methyl-4-oxo-1H-pyrimidin-2-yl)imino]benzamidine IUPAC Name CAS-like Style 1 2.6.6 LexiChem openeye.com 2019.06.18 N'-(4-methoxyanilino)-N-[(6-methyl-4-oxo-1H-pyrimidin-2-yl)imino]benzenecarboximidamide IUPAC Name Markup 1 2.6.6 LexiChem openeye.com 2019.06.18 <I>N</I>&apos;-(4-methoxyanilino)-<I>N</I>-[(6-methyl-4-oxo-1<I>H</I>-pyrimidin-2-yl)imino]benzenecarboximidamide IUPAC Name Preferred 1 2.6.6 LexiChem openeye.com 2019.06.18 N'-(4-methoxyanilino)-N-[(6-methyl-4-oxo-1H-pyrimidin-2-yl)imino]benzenecarboximidamide IUPAC Name Systematic 1 2.6.6 LexiChem openeye.com 2019.06.18 N'-[(4-methoxyphenyl)amino]-N-[(6-methyl-4-oxidanylidene-1H-pyrimidin-2-yl)imino]benzenecarboximidamide IUPAC Name Traditional 1 2.6.6 LexiChem openeye.com 2019.06.18 N-[(4-keto-6-methyl-1H-pyrimidin-2-yl)imino]-N'-(p-anisidino)benzamidine InChI Standard 1 1.0.5 InChI iupac.org 2019.06.18 InChI=1S/C19H18N6O2/c1-13-12-17(26)21-19(20-13)25-24-18(14-6-4-3-5-7-14)23-22-15-8-10-16(27-2)11-9-15/h3-12,22H,1-2H3,(H,20,21,26)/b23-18+,25-24? InChIKey Standard 1 1.0.5 InChI iupac.org 2019.06.18 PYKBAXLXTFFKFP-PCIKRKQGSA-N Log P XLogP3-AA 7 3.0 sioc-ccbg.ac.cn 2019.06.18 3.9 Mass Exact 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 362.14912384 Molecular Formula 1 2.1 PubChem ncbi.nlm.nih.gov 2019.06.18 C19H18N6O2 Molecular Weight 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 362.4 SMILES Canonical 1 2.1.5 OEChem openeye.com 2019.06.18 CC1=CC(=O)N=C(N1)N=NC(=NNC2=CC=C(C=C2)OC)C3=CC=CC=C3 SMILES Isomeric 1 2.1.5 OEChem openeye.com 2019.06.18 CC1=CC(=O)N=C(N1)N=N/C(=N/NC2=CC=C(C=C2)OC)/C3=CC=CC=C3 Topological Polar Surface Area 7 E_TPSA 3.4.6.11 Cactvs xemistry.com 2019.06.18 99.8 Weight MonoIsotopic 1 2.1 PubChem ncbi.nlm.nih.gov 2021.05.07 362.14912384 27 0 0 0 1 1 0 0 1 -1