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

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

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Descriptors Computed from Structure

Canonical SMILES:

CCC1C(=C(NC(=O)N1)CSC2=NN=NN2C3=CC=CC=C3)C(=O)OCC

Isomeric SMILES

CCC1C(=C(NC(=O)N1)CSC2=NN=NN2C3=CC=CC=C3)C(=O)OCC

InChI

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