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

Systemtic Name: ethyl 4-[[(2-azanyl-5-chloranyl-4-oxidanylidene-1H-quinazolin-6-yl)amino]methyl]benzoate Openeye Name: ethyl 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 ethyl ester IUPAC Name: ethyl 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 ethyl ester Formula: C18H17ClN4O3 MolecularWeight: 372.80558

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H17ClN4O3/c1-2-26-17(25)11-5-3-10(4-6-11)9-21-13-8-7-12-14(15(13)19)16(24)23-18(20)22-12/h3-8,21H,2,9H2,1H3,(H3,20,22,23,24)