ethyl (4R)-4-(2,4-dimethylphenyl)-6-[(1-methyl-1,2,3,4-tetrazol-5-yl)sulfanylmethyl]-2-oxidanylidene-3,4-dihydro-1H-pyrimidine-5-carboxylate

Systemtic Name: ethyl (4R)-4-(2,4-dimethylphenyl)-6-[(1-methyl-1,2,3,4-tetrazol-5-yl)sulfanylmethyl]-2-oxidanylidene-3,4-dihydro-1H-pyrimidine-5-carboxylate Openeye Name: ethyl (4R)-4-(2,4-dimethylphenyl)-6-[(1-methyltetrazol-5-yl)sulfanylmethyl]-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylate CAS Name: (4R)-4-(2,4-dimethylphenyl)-6-[[(1-methyl-5-tetrazolyl)thio]methyl]-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylic acid ethyl ester IUPAC Name: ethyl (4R)-4-(2,4-dimethylphenyl)-6-[(1-methyltetrazol-5-yl)sulfanylmethyl]-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylate Traditional Name: (4R)-4-(2,4-dimethylphenyl)-2-keto-6-[[(1-methyltetrazol-5-yl)thio]methyl]-3,4-dihydro-1H-pyrimidine-5-carboxylic acid ethyl ester Formula: C18H22N6O3S MolecularWeight: 402.47068

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

CCOC(=O)C1=C(NC(=O)N[C@@H]1C2=C(C=C(C=C2)C)C)CSC3=NN=NN3C

InChI

InChI=1S/C18H22N6O3S/c1-5-27-16(25)14-13(9-28-18-21-22-23-24(18)4)19-17(26)20-15(14)12-7-6-10(2)8-11(12)3/h6-8,15H,5,9H2,1-4H3,(H2,19,20,26)/t15-/m1/s1