657298 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 17 18 19 20 21 16 8 7 7 6 6 6 6 6 6 6 1 1 1 1 1 1 1 1 1 1 1 2 3 3 3 4 4 4 5 5 5 5 6 7 7 7 8 8 9 9 9 10 11 6 10 16 10 11 21 6 7 12 13 8 9 14 15 11 17 18 19 20 2 2 1 1 1 1 1 1 1 1 1 1 2 1 1 1 1 1 1 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 7.1962 5.4641 5.4641 6.3301 3.732 4.5981 2.866 4.5981 2 6.3301 5.4641 3.3335 4.1306 3.2646 2.4675 5.4641 4.0611 1.69 1.4631 2.31 6.8671 -1.19 1.81 -1.19 0.31 -1.19 -0.69 -0.69 0.31 -1.19 -0.69 0.81 -1.665 -1.665 -0.2151 -0.2151 -1.81 0.62 -0.6531 -1.5 -1.7269 0.62 8 8 8 8 8 8 3 3 4 4 6 8 6 10 10 11 8 11 0 Compound Canonicalized 5 2021.10.14 1 Compound Complexity 7 E_COMPLEXITY 3.4.8.18 Cactvs Xemistry GmbH 2021.10.14 223 Count Hydrogen Bond Acceptor 5 E_NHACCEPTORS 3.4.8.18 Cactvs Xemistry GmbH 2021.10.14 2 Count Hydrogen Bond Donor 5 E_NHDONORS 3.4.8.18 Cactvs Xemistry GmbH 2021.10.14 2 Count Rotatable Bond 5 E_NROTBONDS 3.4.8.18 Cactvs Xemistry GmbH 2021.10.14 2 Fingerprint SubStructure Keys 16 extended 2 E_SCREEN 3.4.8.18 Cactvs Xemistry GmbH 2021.10.14 00000371C0632000400000000000000000000000000000000000200000000000000000000000001E04100000000808818000030002C000008C00255250008000002002090008000000488000000081000400000891020801420000000000000000000000000000000000000000000000000000 IUPAC Name Allowed 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 6-propyl-2-thioxo-1H-pyrimidin-4-one IUPAC Name CAS-like Style 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 6-propyl-2-sulfanylidene-1H-pyrimidin-4-one IUPAC Name Markup 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 6-propyl-2-sulfanylidene-1<I>H</I>-pyrimidin-4-one IUPAC Name Preferred 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 6-propyl-2-sulfanylidene-1H-pyrimidin-4-one IUPAC Name Systematic 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 6-propyl-2-sulfanylidene-1H-pyrimidin-4-one IUPAC Name Traditional 1 2.7.0 Lexichem TK OpenEye Scientific Software 2021.10.14 6-propyl-2-thioxo-1H-pyrimidin-4-one InChI Standard 1 1.0.6 InChI iupac.org 2021.10.14 InChI=1S/C7H10N2OS/c1-2-3-5-4-6(10)9-7(11)8-5/h4H,2-3H2,1H3,(H2,8,9,10,11) InChIKey Standard 1 1.0.6 InChI iupac.org 2021.10.14 KNAHARQHSZJURB-UHFFFAOYSA-N Log P XLogP3-AA 7 3.0 sioc-ccbg.ac.cn 2021.10.14 0.8 Mass Exact 1 2.2 PubChem ncbi.nlm.nih.gov 2021.10.14 170.05138412 Molecular Formula 1 2.2 PubChem ncbi.nlm.nih.gov 2021.10.14 C7H10N2OS Molecular Weight 1 2.2 PubChem ncbi.nlm.nih.gov 2021.10.14 170.23 SMILES Canonical 1 2.3.0 OEChem OpenEye Scientific Software 2021.10.14 CCCC1=CC(=O)NC(=S)N1 SMILES Isomeric 1 2.3.0 OEChem OpenEye Scientific Software 2021.10.14 CCCC1=CC(=O)NC(=S)N1 Topological Polar Surface Area 7 E_TPSA 3.4.8.18 Cactvs Xemistry GmbH 2021.10.14 73.2 Weight MonoIsotopic 1 2.2 PubChem ncbi.nlm.nih.gov 2021.10.14 170.05138412 11 0 0 0 0 0 0 0 1 17