6-azanyl-2-[[4-(phenylcarbonyl)phenyl]-sulfanyl-methyl]-1H-pyrimidin-4-one

Systemtic Name: 6-azanyl-2-[[4-(phenylcarbonyl)phenyl]-sulfanyl-methyl]-1H-pyrimidin-4-one Openeye Name: 6-amino-2-[(4-benzoylphenyl)-sulfanyl-methyl]-1H-pyrimidin-4-one CAS Name: 6-amino-2-[(4-benzoylphenyl)-mercaptomethyl]-1H-pyrimidin-4-one IUPAC Name: 6-amino-2-[(4-benzoylphenyl)-sulfanylmethyl]-1H-pyrimidin-4-one Traditional Name: 6-amino-2-[(4-benzoylphenyl)-mercapto-methyl]-1H-pyrimidin-4-one Formula: C18H15N3O2S MolecularWeight: 337.3956

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C(=O)C2=CC=C(C=C2)C(C3=NC(=O)C=C(N3)N)S

Isomeric SMILES

C1=CC=C(C=C1)C(=O)C2=CC=C(C=C2)C(C3=NC(=O)C=C(N3)N)S

InChI

InChI=1S/C18H15N3O2S/c19-14-10-15(22)21-18(20-14)17(24)13-8-6-12(7-9-13)16(23)11-4-2-1-3-5-11/h1-10,17,24H,(H3,19,20,21,22)