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

Systemtic Name: ethyl 6-[[3-(4-methylpyridin-2-yl)-4-oxidanylidene-quinazolin-2-yl]sulfanylmethyl]-2-oxidanylidene-3,4-dihydro-1H-pyrimidine-5-carboxylate Openeye Name: ethyl 6-[[3-(4-methyl-2-pyridyl)-4-oxo-quinazolin-2-yl]sulfanylmethyl]-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylate CAS Name: 6-[[[3-(4-methyl-2-pyridinyl)-4-oxo-2-quinazolinyl]thio]methyl]-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylic acid ethyl ester IUPAC Name: ethyl 6-[[3-(4-methylpyridin-2-yl)-4-oxoquinazolin-2-yl]sulfanylmethyl]-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylate Traditional Name: 2-keto-6-[[[4-keto-3-(4-methyl-2-pyridyl)quinazolin-2-yl]thio]methyl]-3,4-dihydro-1H-pyrimidine-5-carboxylic acid ethyl ester Formula: C22H21N5O4S MolecularWeight: 451.49824

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(NC(=O)NC1)CSC2=NC3=CC=CC=C3C(=O)N2C4=NC=CC(=C4)C

Isomeric SMILES

CCOC(=O)C1=C(NC(=O)NC1)CSC2=NC3=CC=CC=C3C(=O)N2C4=NC=CC(=C4)C

InChI

InChI=1S/C22H21N5O4S/c1-3-31-20(29)15-11-24-21(30)25-17(15)12-32-22-26-16-7-5-4-6-14(16)19(28)27(22)18-10-13(2)8-9-23-18/h4-10H,3,11-12H2,1-2H3,(H2,24,25,30)