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

Systemtic Name: ethyl 6-[(1-cyclopentyl-1,2,3,4-tetrazol-5-yl)sulfanylmethyl]-2-oxidanylidene-4-thiophen-2-yl-3,4-dihydro-1H-pyrimidine-5-carboxylate Openeye Name: ethyl 6-[(1-cyclopentyltetrazol-5-yl)sulfanylmethyl]-2-oxo-4-(2-thienyl)-3,4-dihydro-1H-pyrimidine-5-carboxylate CAS Name: 6-[[(1-cyclopentyl-5-tetrazolyl)thio]methyl]-2-oxo-4-thiophen-2-yl-3,4-dihydro-1H-pyrimidine-5-carboxylic acid ethyl ester IUPAC Name: ethyl 6-[(1-cyclopentyltetrazol-5-yl)sulfanylmethyl]-2-oxo-4-thiophen-2-yl-3,4-dihydro-1H-pyrimidine-5-carboxylate Traditional Name: 6-[[(1-cyclopentyltetrazol-5-yl)thio]methyl]-2-keto-4-(2-thienyl)-3,4-dihydro-1H-pyrimidine-5-carboxylic acid ethyl ester Formula: C18H22N6O3S2 MolecularWeight: 434.53568

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(NC(=O)NC1C2=CC=CS2)CSC3=NN=NN3C4CCCC4

Isomeric SMILES

CCOC(=O)C1=C(NC(=O)NC1C2=CC=CS2)CSC3=NN=NN3C4CCCC4

InChI

InChI=1S/C18H22N6O3S2/c1-2-27-16(25)14-12(19-17(26)20-15(14)13-8-5-9-28-13)10-29-18-21-22-23-24(18)11-6-3-4-7-11/h5,8-9,11,15H,2-4,6-7,10H2,1H3,(H2,19,20,26)