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

Systemtic Name: ethyl 6-[(5-cyclopentyl-1H-1,2,4-triazol-3-yl)sulfanylmethyl]-2-oxidanylidene-4-phenyl-3,4-dihydro-1H-pyrimidine-5-carboxylate Openeye Name: ethyl 6-[(5-cyclopentyl-1H-1,2,4-triazol-3-yl)sulfanylmethyl]-2-oxo-4-phenyl-3,4-dihydro-1H-pyrimidine-5-carboxylate CAS Name: 6-[[(5-cyclopentyl-1H-1,2,4-triazol-3-yl)thio]methyl]-2-oxo-4-phenyl-3,4-dihydro-1H-pyrimidine-5-carboxylic acid ethyl ester IUPAC Name: ethyl 6-[(5-cyclopentyl-1H-1,2,4-triazol-3-yl)sulfanylmethyl]-2-oxo-4-phenyl-3,4-dihydro-1H-pyrimidine-5-carboxylate Traditional Name: 6-[[(5-cyclopentyl-1H-1,2,4-triazol-3-yl)thio]methyl]-2-keto-4-phenyl-3,4-dihydro-1H-pyrimidine-5-carboxylic acid ethyl ester Formula: C21H25N5O3S MolecularWeight: 427.5199

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(NC(=O)NC1C2=CC=CC=C2)CSC3=NNC(=N3)C4CCCC4

Isomeric SMILES

CCOC(=O)C1=C(NC(=O)NC1C2=CC=CC=C2)CSC3=NNC(=N3)C4CCCC4

InChI

InChI=1S/C21H25N5O3S/c1-2-29-19(27)16-15(22-20(28)23-17(16)13-8-4-3-5-9-13)12-30-21-24-18(25-26-21)14-10-6-7-11-14/h3-5,8-9,14,17H,2,6-7,10-12H2,1H3,(H2,22,23,28)(H,24,25,26)