ethyl 3-methyl-4-[(1-methyl-1,2,3,4-tetrazol-5-yl)sulfanylmethyl]-2-oxidanylidene-6-phenyl-1,6-dihydropyrimidine-5-carboxylate

Systemtic Name: ethyl 3-methyl-4-[(1-methyl-1,2,3,4-tetrazol-5-yl)sulfanylmethyl]-2-oxidanylidene-6-phenyl-1,6-dihydropyrimidine-5-carboxylate Openeye Name: ethyl 3-methyl-4-[(1-methyltetrazol-5-yl)sulfanylmethyl]-2-oxo-6-phenyl-1,6-dihydropyrimidine-5-carboxylate CAS Name: 3-methyl-4-[[(1-methyl-5-tetrazolyl)thio]methyl]-2-oxo-6-phenyl-1,6-dihydropyrimidine-5-carboxylic acid ethyl ester IUPAC Name: ethyl 3-methyl-4-[(1-methyltetrazol-5-yl)sulfanylmethyl]-2-oxo-6-phenyl-1,6-dihydropyrimidine-5-carboxylate Traditional Name: 2-keto-3-methyl-4-[[(1-methyltetrazol-5-yl)thio]methyl]-6-phenyl-1,6-dihydropyrimidine-5-carboxylic acid ethyl ester Formula: C17H20N6O3S MolecularWeight: 388.4441

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(N(C(=O)NC1C2=CC=CC=C2)C)CSC3=NN=NN3C

Isomeric SMILES

CCOC(=O)C1=C(N(C(=O)NC1C2=CC=CC=C2)C)CSC3=NN=NN3C

InChI

InChI=1S/C17H20N6O3S/c1-4-26-15(24)13-12(10-27-17-19-20-21-23(17)3)22(2)16(25)18-14(13)11-8-6-5-7-9-11/h5-9,14H,4,10H2,1-3H3,(H,18,25)