diethyl 2-[[4-[3-(2-azanyl-4-oxidanylidene-1,7-dihydropyrrolo[2,3-d]pyrimidin-5-yl)propyl]phenyl]carbonylamino]pentanedioate

Systemtic Name: diethyl 2-[[4-[3-(2-azanyl-4-oxidanylidene-1,7-dihydropyrrolo[2,3-d]pyrimidin-5-yl)propyl]phenyl]carbonylamino]pentanedioate Openeye Name: diethyl 2-[[4-[3-(2-amino-4-oxo-1,7-dihydropyrrolo[2,3-d]pyrimidin-5-yl)propyl]benzoyl]amino]pentanedioate CAS Name: 2-[[[4-[3-(2-amino-4-oxo-1,7-dihydropyrrolo[2,3-d]pyrimidin-5-yl)propyl]phenyl]-oxomethyl]amino]pentanedioic acid diethyl ester IUPAC Name: diethyl 2-[[4-[3-(2-amino-4-oxo-1,7-dihydropyrrolo[2,3-d]pyrimidin-5-yl)propyl]benzoyl]amino]pentanedioate Traditional Name: 2-[[4-[3-(2-amino-4-keto-1,7-dihydropyrrolo[2,3-d]pyrimidin-5-yl)propyl]benzoyl]amino]glutaric acid diethyl ester Formula: C25H31N5O6 MolecularWeight: 497.54354

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CCC(C(=O)OCC)NC(=O)C1=CC=C(C=C1)CCCC2=CNC3=C2C(=O)N=C(N3)N

Isomeric SMILES

CCOC(=O)CCC(C(=O)OCC)NC(=O)C1=CC=C(C=C1)CCCC2=CNC3=C2C(=O)N=C(N3)N

InChI

InChI=1S/C25H31N5O6/c1-3-35-19(31)13-12-18(24(34)36-4-2)28-22(32)16-10-8-15(9-11-16)6-5-7-17-14-27-21-20(17)23(33)30-25(26)29-21/h8-11,14,18H,3-7,12-13H2,1-2H3,(H,28,32)(H4,26,27,29,30,33)