methyl 4-[[(2-azanyl-5-chloranyl-4-oxidanylidene-1H-quinazolin-6-yl)amino]methyl]benzoate

Systemtic Name: methyl 4-[[(2-azanyl-5-chloranyl-4-oxidanylidene-1H-quinazolin-6-yl)amino]methyl]benzoate Openeye Name: methyl 4-[[(2-amino-5-chloro-4-oxo-1H-quinazolin-6-yl)amino]methyl]benzoate CAS Name: 4-[[(2-amino-5-chloro-4-oxo-1H-quinazolin-6-yl)amino]methyl]benzoic acid methyl ester IUPAC Name: methyl 4-[[(2-amino-5-chloro-4-oxo-1H-quinazolin-6-yl)amino]methyl]benzoate Traditional Name: 4-[[(2-amino-5-chloro-4-keto-1H-quinazolin-6-yl)amino]methyl]benzoic acid methyl ester Formula: C17H15ClN4O3 MolecularWeight: 358.779

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC=C(C=C1)CNC2=C(C3=C(C=C2)NC(=NC3=O)N)Cl

Isomeric SMILES

COC(=O)C1=CC=C(C=C1)CNC2=C(C3=C(C=C2)NC(=NC3=O)N)Cl

InChI

InChI=1S/C17H15ClN4O3/c1-25-16(24)10-4-2-9(3-5-10)8-20-12-7-6-11-13(14(12)18)15(23)22-17(19)21-11/h2-7,20H,8H2,1H3,(H3,19,21,22,23)