diethyl 2-[[4-[1-(2-azanyl-4-oxidanylidene-1H-quinazolin-6-yl)but-3-yn-2-ylamino]phenyl]carbonylamino]pentanedioate

Systemtic Name: diethyl 2-[[4-[1-(2-azanyl-4-oxidanylidene-1H-quinazolin-6-yl)but-3-yn-2-ylamino]phenyl]carbonylamino]pentanedioate Openeye Name: diethyl 2-[[4-[1-[(2-amino-4-oxo-1H-quinazolin-6-yl)methyl]prop-2-ynylamino]benzoyl]amino]pentanedioate CAS Name: 2-[[[4-[1-(2-amino-4-oxo-1H-quinazolin-6-yl)but-3-yn-2-ylamino]phenyl]-oxomethyl]amino]pentanedioic acid diethyl ester IUPAC Name: diethyl 2-[[4-[1-(2-amino-4-oxo-1H-quinazolin-6-yl)but-3-yn-2-ylamino]benzoyl]amino]pentanedioate Traditional Name: 2-[[4-[1-[(2-amino-4-keto-1H-quinazolin-6-yl)methyl]prop-2-ynylamino]benzoyl]amino]glutaric acid diethyl ester Formula: C28H31N5O6 MolecularWeight: 533.57564

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C28H31N5O6/c1-4-19(15-17-7-12-22-21(16-17)26(36)33-28(29)32-22)30-20-10-8-18(9-11-20)25(35)31-23(27(37)39-6-3)13-14-24(34)38-5-2/h1,7-12,16,19,23,30H,5-6,13-15H2,2-3H3,(H,31,35)(H3,29,32,33,36)