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

Systemtic Name: ethyl 6-[(1-cyclohexyl-1,2,3,4-tetrazol-5-yl)sulfanylmethyl]-2-oxidanylidene-4-phenyl-3,4-dihydro-1H-pyrimidine-5-carboxylate Openeye Name: ethyl 6-[(1-cyclohexyltetrazol-5-yl)sulfanylmethyl]-2-oxo-4-phenyl-3,4-dihydro-1H-pyrimidine-5-carboxylate CAS Name: 6-[[(1-cyclohexyl-5-tetrazolyl)thio]methyl]-2-oxo-4-phenyl-3,4-dihydro-1H-pyrimidine-5-carboxylic acid ethyl ester IUPAC Name: ethyl 6-[(1-cyclohexyltetrazol-5-yl)sulfanylmethyl]-2-oxo-4-phenyl-3,4-dihydro-1H-pyrimidine-5-carboxylate Traditional Name: 6-[[(1-cyclohexyltetrazol-5-yl)thio]methyl]-2-keto-4-phenyl-3,4-dihydro-1H-pyrimidine-5-carboxylic acid ethyl ester Formula: C21H26N6O3S MolecularWeight: 442.53454

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(NC(=O)NC1C2=CC=CC=C2)CSC3=NN=NN3C4CCCCC4

Isomeric SMILES

CCOC(=O)C1=C(NC(=O)NC1C2=CC=CC=C2)CSC3=NN=NN3C4CCCCC4

InChI

InChI=1S/C21H26N6O3S/c1-2-30-19(28)17-16(22-20(29)23-18(17)14-9-5-3-6-10-14)13-31-21-24-25-26-27(21)15-11-7-4-8-12-15/h3,5-6,9-10,15,18H,2,4,7-8,11-13H2,1H3,(H2,22,23,29)