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

Systemtic Name: 6-azanyl-2-[[4-(phenylcarbonyl)phenyl]methylsulfanyl]-1H-pyrimidin-4-one Openeye Name: 6-amino-2-[(4-benzoylphenyl)methylsulfanyl]-1H-pyrimidin-4-one CAS Name: 6-amino-2-[(4-benzoylphenyl)methylthio]-1H-pyrimidin-4-one IUPAC Name: 6-amino-2-[(4-benzoylphenyl)methylsulfanyl]-1H-pyrimidin-4-one Traditional Name: 6-amino-2-[(4-benzoylbenzyl)thio]-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)CSC3=NC(=O)C=C(N3)N

Isomeric SMILES

C1=CC=C(C=C1)C(=O)C2=CC=C(C=C2)CSC3=NC(=O)C=C(N3)N

InChI

InChI=1S/C18H15N3O2S/c19-15-10-16(22)21-18(20-15)24-11-12-6-8-14(9-7-12)17(23)13-4-2-1-3-5-13/h1-10H,11H2,(H3,19,20,21,22)