dimethyl 2-[[4-[3-(2,6-diacetamido-4-oxidanylidene-1H-pyrimidin-5-yl)propylamino]phenyl]carbonylamino]pentanedioate

Systemtic Name: dimethyl 2-[[4-[3-(2,6-diacetamido-4-oxidanylidene-1H-pyrimidin-5-yl)propylamino]phenyl]carbonylamino]pentanedioate Openeye Name: dimethyl 2-[[4-[3-(2,6-diacetamido-4-oxo-1H-pyrimidin-5-yl)propylamino]benzoyl]amino]pentanedioate CAS Name: 2-[[[4-[3-(2,6-diacetamido-4-oxo-1H-pyrimidin-5-yl)propylamino]phenyl]-oxomethyl]amino]pentanedioic acid dimethyl ester IUPAC Name: dimethyl 2-[[4-[3-(2,6-diacetamido-4-oxo-1H-pyrimidin-5-yl)propylamino]benzoyl]amino]pentanedioate Traditional Name: 2-[[4-[3-(2,6-diacetamido-4-keto-1H-pyrimidin-5-yl)propylamino]benzoyl]amino]glutaric acid dimethyl ester Formula: C25H32N6O8 MolecularWeight: 544.55698

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC1=C(C(=O)N=C(N1)NC(=O)C)CCCNC2=CC=C(C=C2)C(=O)NC(CCC(=O)OC)C(=O)OC

Isomeric SMILES

CC(=O)NC1=C(C(=O)N=C(N1)NC(=O)C)CCCNC2=CC=C(C=C2)C(=O)NC(CCC(=O)OC)C(=O)OC

InChI

InChI=1S/C25H32N6O8/c1-14(32)27-21-18(23(36)31-25(30-21)28-15(2)33)6-5-13-26-17-9-7-16(8-10-17)22(35)29-19(24(37)39-4)11-12-20(34)38-3/h7-10,19,26H,5-6,11-13H2,1-4H3,(H,29,35)(H3,27,28,30,31,32,33,36)