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

Systemtic Name: ethyl 6-[(3-cyclopentyl-4-oxidanylidene-quinazolin-2-yl)sulfanylmethyl]-2-oxidanylidene-3,4-dihydro-1H-pyrimidine-5-carboxylate Openeye Name: ethyl 6-[(3-cyclopentyl-4-oxo-quinazolin-2-yl)sulfanylmethyl]-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylate CAS Name: 6-[[(3-cyclopentyl-4-oxo-2-quinazolinyl)thio]methyl]-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylic acid ethyl ester IUPAC Name: ethyl 6-[(3-cyclopentyl-4-oxoquinazolin-2-yl)sulfanylmethyl]-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylate Traditional Name: 6-[[(3-cyclopentyl-4-keto-quinazolin-2-yl)thio]methyl]-2-keto-3,4-dihydro-1H-pyrimidine-5-carboxylic acid ethyl ester Formula: C21H24N4O4S MolecularWeight: 428.50466

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(NC(=O)NC1)CSC2=NC3=CC=CC=C3C(=O)N2C4CCCC4

Isomeric SMILES

CCOC(=O)C1=C(NC(=O)NC1)CSC2=NC3=CC=CC=C3C(=O)N2C4CCCC4

InChI

InChI=1S/C21H24N4O4S/c1-2-29-19(27)15-11-22-20(28)23-17(15)12-30-21-24-16-10-6-5-9-14(16)18(26)25(21)13-7-3-4-8-13/h5-6,9-10,13H,2-4,7-8,11-12H2,1H3,(H2,22,23,28)