6-[(4-ethylphenyl)amino]-3-methyl-2-(phenylmethylsulfanyl)pyrimidin-4-one

Systemtic Name: 6-[(4-ethylphenyl)amino]-3-methyl-2-(phenylmethylsulfanyl)pyrimidin-4-one Openeye Name: 2-benzylsulfanyl-6-(4-ethylanilino)-3-methyl-pyrimidin-4-one CAS Name: 6-(4-ethylanilino)-3-methyl-2-(phenylmethylthio)-4-pyrimidinone IUPAC Name: 2-benzylsulfanyl-6-(4-ethylanilino)-3-methylpyrimidin-4-one Traditional Name: 2-(benzylthio)-6-(4-ethylanilino)-3-methyl-pyrimidin-4-one Formula: C20H21N3OS MolecularWeight: 351.46524

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=C(C=C1)NC2=CC(=O)N(C(=N2)SCC3=CC=CC=C3)C

Isomeric SMILES

CCC1=CC=C(C=C1)NC2=CC(=O)N(C(=N2)SCC3=CC=CC=C3)C

InChI

InChI=1S/C20H21N3OS/c1-3-15-9-11-17(12-10-15)21-18-13-19(24)23(2)20(22-18)25-14-16-7-5-4-6-8-16/h4-13,21H,3,14H2,1-2H3