2-[3-(4-chloranyl-2-methoxy-5-methyl-phenyl)-4-oxidanylidene-quinazolin-2-yl]sulfanyl-N-cyclopropyl-ethanamide

Systemtic Name: 2-[3-(4-chloranyl-2-methoxy-5-methyl-phenyl)-4-oxidanylidene-quinazolin-2-yl]sulfanyl-N-cyclopropyl-ethanamide Openeye Name: 2-[3-(4-chloro-2-methoxy-5-methyl-phenyl)-4-oxo-quinazolin-2-yl]sulfanyl-N-cyclopropyl-acetamide CAS Name: 2-[[3-(4-chloro-2-methoxy-5-methylphenyl)-4-oxo-2-quinazolinyl]thio]-N-cyclopropylacetamide IUPAC Name: 2-[3-(4-chloro-2-methoxy-5-methylphenyl)-4-oxoquinazolin-2-yl]sulfanyl-N-cyclopropylacetamide Traditional Name: 2-[[3-(4-chloro-2-methoxy-5-methyl-phenyl)-4-keto-quinazolin-2-yl]thio]-N-cyclopropyl-acetamide Formula: C21H20ClN3O3S MolecularWeight: 429.9198

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1Cl)OC)N2C(=O)C3=CC=CC=C3N=C2SCC(=O)NC4CC4

Isomeric SMILES

CC1=CC(=C(C=C1Cl)OC)N2C(=O)C3=CC=CC=C3N=C2SCC(=O)NC4CC4

InChI

InChI=1S/C21H20ClN3O3S/c1-12-9-17(18(28-2)10-15(12)22)25-20(27)14-5-3-4-6-16(14)24-21(25)29-11-19(26)23-13-7-8-13/h3-6,9-10,13H,7-8,11H2,1-2H3,(H,23,26)