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

Systemtic Name: 4-[[3-(2-azanyl-6-chloranyl-quinazolin-4-yl)phenyl]amino]-4-oxidanylidene-butanoic acid Openeye Name: 4-[3-(2-amino-6-chloro-quinazolin-4-yl)anilino]-4-oxo-butanoic acid CAS Name: 4-[3-(2-amino-6-chloro-4-quinazolinyl)anilino]-4-oxobutanoic acid IUPAC Name: 4-[3-(2-amino-6-chloroquinazolin-4-yl)anilino]-4-oxobutanoic acid Traditional Name: 4-[3-(2-amino-6-chloro-quinazolin-4-yl)anilino]-4-keto-butyric acid Formula: C18H15ClN4O3 MolecularWeight: 370.7897

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H15ClN4O3/c19-11-4-5-14-13(9-11)17(23-18(20)22-14)10-2-1-3-12(8-10)21-15(24)6-7-16(25)26/h1-5,8-9H,6-7H2,(H,21,24)(H,25,26)(H2,20,22,23)