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

Systemtic Name: ethyl 6-[(1-cyclopentyl-1,2,3,4-tetrazol-5-yl)sulfanylmethyl]-2-oxidanylidene-4-phenyl-3,4-dihydro-1H-pyrimidine-5-carboxylate Openeye Name: ethyl 6-[(1-cyclopentyltetrazol-5-yl)sulfanylmethyl]-2-oxo-4-phenyl-3,4-dihydro-1H-pyrimidine-5-carboxylate CAS Name: 6-[[(1-cyclopentyl-5-tetrazolyl)thio]methyl]-2-oxo-4-phenyl-3,4-dihydro-1H-pyrimidine-5-carboxylic acid ethyl ester IUPAC Name: ethyl 6-[(1-cyclopentyltetrazol-5-yl)sulfanylmethyl]-2-oxo-4-phenyl-3,4-dihydro-1H-pyrimidine-5-carboxylate Traditional Name: 6-[[(1-cyclopentyltetrazol-5-yl)thio]methyl]-2-keto-4-phenyl-3,4-dihydro-1H-pyrimidine-5-carboxylic acid ethyl ester Formula: C20H24N6O3S MolecularWeight: 428.50796

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(NC(=O)NC1C2=CC=CC=C2)CSC3=NN=NN3C4CCCC4

Isomeric SMILES

CCOC(=O)C1=C(NC(=O)NC1C2=CC=CC=C2)CSC3=NN=NN3C4CCCC4

InChI

InChI=1S/C20H24N6O3S/c1-2-29-18(27)16-15(21-19(28)22-17(16)13-8-4-3-5-9-13)12-30-20-23-24-25-26(20)14-10-6-7-11-14/h3-5,8-9,14,17H,2,6-7,10-12H2,1H3,(H2,21,22,28)