ethyl 2-(2-azanyl-2-oxidanylidene-ethyl)sulfanyl-6-methyl-4-phenyl-1,4-dihydropyrimidine-5-carboxylate

Systemtic Name: ethyl 2-(2-azanyl-2-oxidanylidene-ethyl)sulfanyl-6-methyl-4-phenyl-1,4-dihydropyrimidine-5-carboxylate Openeye Name: ethyl 2-(2-amino-2-oxo-ethyl)sulfanyl-6-methyl-4-phenyl-1,4-dihydropyrimidine-5-carboxylate CAS Name: 2-[(2-amino-2-oxoethyl)thio]-6-methyl-4-phenyl-1,4-dihydropyrimidine-5-carboxylic acid ethyl ester IUPAC Name: ethyl 2-(2-amino-2-oxoethyl)sulfanyl-6-methyl-4-phenyl-1,4-dihydropyrimidine-5-carboxylate Traditional Name: 2-[(2-amino-2-keto-ethyl)thio]-6-methyl-4-phenyl-1,4-dihydropyrimidine-5-carboxylic acid ethyl ester Formula: C16H19N3O3S MolecularWeight: 333.40536

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(NC(=NC1C2=CC=CC=C2)SCC(=O)N)C

Isomeric SMILES

CCOC(=O)C1=C(NC(=NC1C2=CC=CC=C2)SCC(=O)N)C

InChI

InChI=1S/C16H19N3O3S/c1-3-22-15(21)13-10(2)18-16(23-9-12(17)20)19-14(13)11-7-5-4-6-8-11/h4-8,14H,3,9H2,1-2H3,(H2,17,20)(H,18,19)