methyl 4-[[3-(2-azanyl-6-chloranyl-quinazolin-4-yl)phenyl]amino]-4-oxidanylidene-butanoate

Systemtic Name: methyl 4-[[3-(2-azanyl-6-chloranyl-quinazolin-4-yl)phenyl]amino]-4-oxidanylidene-butanoate Openeye Name: methyl 4-[3-(2-amino-6-chloro-quinazolin-4-yl)anilino]-4-oxo-butanoate CAS Name: 4-[3-(2-amino-6-chloro-4-quinazolinyl)anilino]-4-oxobutanoic acid methyl ester IUPAC Name: methyl 4-[3-(2-amino-6-chloroquinazolin-4-yl)anilino]-4-oxobutanoate Traditional Name: 4-[3-(2-amino-6-chloro-quinazolin-4-yl)anilino]-4-keto-butyric acid methyl ester Formula: C19H17ClN4O3 MolecularWeight: 384.81628

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)CCC(=O)NC1=CC=CC(=C1)C2=NC(=NC3=C2C=C(C=C3)Cl)N

Isomeric SMILES

COC(=O)CCC(=O)NC1=CC=CC(=C1)C2=NC(=NC3=C2C=C(C=C3)Cl)N

InChI

InChI=1S/C19H17ClN4O3/c1-27-17(26)8-7-16(25)22-13-4-2-3-11(9-13)18-14-10-12(20)5-6-15(14)23-19(21)24-18/h2-6,9-10H,7-8H2,1H3,(H,22,25)(H2,21,23,24)