diethyl 2-[[4-[(2-azanyl-4-oxidanylidene-1H-quinazolin-6-yl)methyl-(cyanomethyl)amino]phenyl]carbonylamino]pentanedioate

Systemtic Name: diethyl 2-[[4-[(2-azanyl-4-oxidanylidene-1H-quinazolin-6-yl)methyl-(cyanomethyl)amino]phenyl]carbonylamino]pentanedioate Openeye Name: diethyl 2-[[4-[(2-amino-4-oxo-1H-quinazolin-6-yl)methyl-(cyanomethyl)amino]benzoyl]amino]pentanedioate CAS Name: 2-[[[4-[(2-amino-4-oxo-1H-quinazolin-6-yl)methyl-(cyanomethyl)amino]phenyl]-oxomethyl]amino]pentanedioic acid diethyl ester IUPAC Name: diethyl 2-[[4-[(2-amino-4-oxo-1H-quinazolin-6-yl)methyl-(cyanomethyl)amino]benzoyl]amino]pentanedioate Traditional Name: 2-[[4-[(2-amino-4-keto-1H-quinazolin-6-yl)methyl-(cyanomethyl)amino]benzoyl]amino]glutaric acid diethyl ester Formula: C27H30N6O6 MolecularWeight: 534.5637

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CCC(C(=O)OCC)NC(=O)C1=CC=C(C=C1)N(CC#N)CC2=CC3=C(C=C2)NC(=NC3=O)N

Isomeric SMILES

CCOC(=O)CCC(C(=O)OCC)NC(=O)C1=CC=C(C=C1)N(CC#N)CC2=CC3=C(C=C2)NC(=NC3=O)N

InChI

InChI=1S/C27H30N6O6/c1-3-38-23(34)12-11-22(26(37)39-4-2)30-24(35)18-6-8-19(9-7-18)33(14-13-28)16-17-5-10-21-20(15-17)25(36)32-27(29)31-21/h5-10,15,22H,3-4,11-12,14,16H2,1-2H3,(H,30,35)(H3,29,31,32,36)