methyl 4-[(4-cyanophenyl)methylsulfanyl]-6-methyl-2-oxidanylidene-1H-pyrimidine-5-carboxylate

Systemtic Name: methyl 4-[(4-cyanophenyl)methylsulfanyl]-6-methyl-2-oxidanylidene-1H-pyrimidine-5-carboxylate Openeye Name: methyl 4-[(4-cyanophenyl)methylsulfanyl]-6-methyl-2-oxo-1H-pyrimidine-5-carboxylate CAS Name: 4-[(4-cyanophenyl)methylthio]-6-methyl-2-oxo-1H-pyrimidine-5-carboxylic acid methyl ester IUPAC Name: methyl 4-[(4-cyanophenyl)methylsulfanyl]-6-methyl-2-oxo-1H-pyrimidine-5-carboxylate Traditional Name: 4-[(4-cyanobenzyl)thio]-2-keto-6-methyl-1H-pyrimidine-5-carboxylic acid methyl ester Formula: C15H13N3O3S MolecularWeight: 315.34702

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NC(=O)N1)SCC2=CC=C(C=C2)C#N)C(=O)OC

Isomeric SMILES

CC1=C(C(=NC(=O)N1)SCC2=CC=C(C=C2)C#N)C(=O)OC

InChI

InChI=1S/C15H13N3O3S/c1-9-12(14(19)21-2)13(18-15(20)17-9)22-8-11-5-3-10(7-16)4-6-11/h3-6H,8H2,1-2H3,(H,17,18,20)