diethyl 2-[[4-[[1,3-dimethyl-2,6-bis(oxidanylidene)-7H-purin-8-yl]methylamino]phenyl]carbonylamino]pentanedioate

Systemtic Name: diethyl 2-[[4-[[1,3-dimethyl-2,6-bis(oxidanylidene)-7H-purin-8-yl]methylamino]phenyl]carbonylamino]pentanedioate Openeye Name: diethyl 2-[[4-[(1,3-dimethyl-2,6-dioxo-7H-purin-8-yl)methylamino]benzoyl]amino]pentanedioate CAS Name: 2-[[[4-[(1,3-dimethyl-2,6-dioxo-7H-purin-8-yl)methylamino]phenyl]-oxomethyl]amino]pentanedioic acid diethyl ester IUPAC Name: diethyl 2-[[4-[(1,3-dimethyl-2,6-dioxo-7H-purin-8-yl)methylamino]benzoyl]amino]pentanedioate Traditional Name: 2-[[4-[(2,6-diketo-1,3-dimethyl-7H-purin-8-yl)methylamino]benzoyl]amino]glutaric acid diethyl ester Formula: C24H30N6O7 MolecularWeight: 514.531

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CCC(C(=O)OCC)NC(=O)C1=CC=C(C=C1)NCC2=NC3=C(N2)C(=O)N(C(=O)N3C)C

Isomeric SMILES

CCOC(=O)CCC(C(=O)OCC)NC(=O)C1=CC=C(C=C1)NCC2=NC3=C(N2)C(=O)N(C(=O)N3C)C

InChI

InChI=1S/C24H30N6O7/c1-5-36-18(31)12-11-16(23(34)37-6-2)26-21(32)14-7-9-15(10-8-14)25-13-17-27-19-20(28-17)29(3)24(35)30(4)22(19)33/h7-10,16,25H,5-6,11-13H2,1-4H3,(H,26,32)(H,27,28)