methyl 4-[[5-(2-azanyl-6-chloranyl-quinazolin-4-yl)-2-methyl-phenyl]amino]-4-oxidanylidene-butanoate

Systemtic Name: methyl 4-[[5-(2-azanyl-6-chloranyl-quinazolin-4-yl)-2-methyl-phenyl]amino]-4-oxidanylidene-butanoate Openeye Name: methyl 4-[5-(2-amino-6-chloro-quinazolin-4-yl)-2-methyl-anilino]-4-oxo-butanoate CAS Name: 4-[5-(2-amino-6-chloro-4-quinazolinyl)-2-methylanilino]-4-oxobutanoic acid methyl ester IUPAC Name: methyl 4-[5-(2-amino-6-chloroquinazolin-4-yl)-2-methylanilino]-4-oxobutanoate Traditional Name: 4-[5-(2-amino-6-chloro-quinazolin-4-yl)-2-methyl-anilino]-4-keto-butyric acid methyl ester Formula: C20H19ClN4O3 MolecularWeight: 398.84286

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)C2=NC(=NC3=C2C=C(C=C3)Cl)N)NC(=O)CCC(=O)OC

Isomeric SMILES

CC1=C(C=C(C=C1)C2=NC(=NC3=C2C=C(C=C3)Cl)N)NC(=O)CCC(=O)OC

InChI

InChI=1S/C20H19ClN4O3/c1-11-3-4-12(9-16(11)23-17(26)7-8-18(27)28-2)19-14-10-13(21)5-6-15(14)24-20(22)25-19/h3-6,9-10H,7-8H2,1-2H3,(H,23,26)(H2,22,24,25)