ethyl 2-[6-methyl-4-oxidanylidene-2-(phenylmethylsulfanyl)-1H-pyrimidin-5-yl]ethanoate

Systemtic Name: ethyl 2-[6-methyl-4-oxidanylidene-2-(phenylmethylsulfanyl)-1H-pyrimidin-5-yl]ethanoate Openeye Name: ethyl 2-(2-benzylsulfanyl-6-methyl-4-oxo-1H-pyrimidin-5-yl)acetate CAS Name: 2-[6-methyl-4-oxo-2-(phenylmethylthio)-1H-pyrimidin-5-yl]acetic acid ethyl ester IUPAC Name: ethyl 2-(2-benzylsulfanyl-6-methyl-4-oxo-1H-pyrimidin-5-yl)acetate Traditional Name: 2-[2-(benzylthio)-4-keto-6-methyl-1H-pyrimidin-5-yl]acetic acid ethyl ester Formula: C16H18N2O3S MolecularWeight: 318.39072

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CC1=C(NC(=NC1=O)SCC2=CC=CC=C2)C

Isomeric SMILES

CCOC(=O)CC1=C(NC(=NC1=O)SCC2=CC=CC=C2)C

InChI

InChI=1S/C16H18N2O3S/c1-3-21-14(19)9-13-11(2)17-16(18-15(13)20)22-10-12-7-5-4-6-8-12/h4-8H,3,9-10H2,1-2H3,(H,17,18,20)