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

Systemtic Name: diethyl 2-[[4-[(2-azanyl-4-oxidanylidene-1H-quinazolin-6-yl)methylamino]phenyl]carbonylamino]pentanedioate Openeye Name: diethyl 2-[[4-[(2-amino-4-oxo-1H-quinazolin-6-yl)methylamino]benzoyl]amino]pentanedioate CAS Name: 2-[[[4-[(2-amino-4-oxo-1H-quinazolin-6-yl)methylamino]phenyl]-oxomethyl]amino]pentanedioic acid diethyl ester IUPAC Name: diethyl 2-[[4-[(2-amino-4-oxo-1H-quinazolin-6-yl)methylamino]benzoyl]amino]pentanedioate Traditional Name: 2-[[4-[(2-amino-4-keto-1H-quinazolin-6-yl)methylamino]benzoyl]amino]glutaric acid diethyl ester Formula: C25H29N5O6 MolecularWeight: 495.52766

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CCC(C(=O)OCC)NC(=O)C1=CC=C(C=C1)NCC2=CC3=C(C=C2)NC(=NC3=O)N

Isomeric SMILES

CCOC(=O)CCC(C(=O)OCC)NC(=O)C1=CC=C(C=C1)NCC2=CC3=C(C=C2)NC(=NC3=O)N

InChI

InChI=1S/C25H29N5O6/c1-3-35-21(31)12-11-20(24(34)36-4-2)28-22(32)16-6-8-17(9-7-16)27-14-15-5-10-19-18(13-15)23(33)30-25(26)29-19/h5-10,13,20,27H,3-4,11-12,14H2,1-2H3,(H,28,32)(H3,26,29,30,33)