ethyl 4-(4-chlorophenyl)-2-oxidanylidene-6-(quinazolin-4-ylsulfanylmethyl)-3,4-dihydro-1H-pyrimidine-5-carboxylate

Systemtic Name: ethyl 4-(4-chlorophenyl)-2-oxidanylidene-6-(quinazolin-4-ylsulfanylmethyl)-3,4-dihydro-1H-pyrimidine-5-carboxylate Openeye Name: ethyl 4-(4-chlorophenyl)-2-oxo-6-(quinazolin-4-ylsulfanylmethyl)-3,4-dihydro-1H-pyrimidine-5-carboxylate CAS Name: 4-(4-chlorophenyl)-2-oxo-6-[(4-quinazolinylthio)methyl]-3,4-dihydro-1H-pyrimidine-5-carboxylic acid ethyl ester IUPAC Name: ethyl 4-(4-chlorophenyl)-2-oxo-6-(quinazolin-4-ylsulfanylmethyl)-3,4-dihydro-1H-pyrimidine-5-carboxylate Traditional Name: 4-(4-chlorophenyl)-2-keto-6-[(quinazolin-4-ylthio)methyl]-3,4-dihydro-1H-pyrimidine-5-carboxylic acid ethyl ester Formula: C22H19ClN4O3S MolecularWeight: 454.92926

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(NC(=O)NC1C2=CC=C(C=C2)Cl)CSC3=NC=NC4=CC=CC=C43

Isomeric SMILES

CCOC(=O)C1=C(NC(=O)NC1C2=CC=C(C=C2)Cl)CSC3=NC=NC4=CC=CC=C43

InChI

InChI=1S/C22H19ClN4O3S/c1-2-30-21(28)18-17(11-31-20-15-5-3-4-6-16(15)24-12-25-20)26-22(29)27-19(18)13-7-9-14(23)10-8-13/h3-10,12,19H,2,11H2,1H3,(H2,26,27,29)