2-[[4-[3-(2-azanyl-4-oxidanylidene-6-phenyl-1H-pyrimidin-5-yl)propylamino]phenyl]carbonylamino]pentanedioic acid

Systemtic Name: 2-[[4-[3-(2-azanyl-4-oxidanylidene-6-phenyl-1H-pyrimidin-5-yl)propylamino]phenyl]carbonylamino]pentanedioic acid Openeye Name: 2-[[4-[3-(2-amino-4-oxo-6-phenyl-1H-pyrimidin-5-yl)propylamino]benzoyl]amino]pentanedioic acid CAS Name: 2-[[[4-[3-(2-amino-4-oxo-6-phenyl-1H-pyrimidin-5-yl)propylamino]phenyl]-oxomethyl]amino]pentanedioic acid IUPAC Name: 2-[[4-[3-(2-amino-4-oxo-6-phenyl-1H-pyrimidin-5-yl)propylamino]benzoyl]amino]pentanedioic acid Traditional Name: 2-[[4-[3-(2-amino-4-keto-6-phenyl-1H-pyrimidin-5-yl)propylamino]benzoyl]amino]glutaric acid Formula: C25H27N5O6 MolecularWeight: 493.51178

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C2=C(C(=O)N=C(N2)N)CCCNC3=CC=C(C=C3)C(=O)NC(CCC(=O)O)C(=O)O

Isomeric SMILES

C1=CC=C(C=C1)C2=C(C(=O)N=C(N2)N)CCCNC3=CC=C(C=C3)C(=O)NC(CCC(=O)O)C(=O)O

InChI

InChI=1S/C25H27N5O6/c26-25-29-21(15-5-2-1-3-6-15)18(23(34)30-25)7-4-14-27-17-10-8-16(9-11-17)22(33)28-19(24(35)36)12-13-20(31)32/h1-3,5-6,8-11,19,27H,4,7,12-14H2,(H,28,33)(H,31,32)(H,35,36)(H3,26,29,30,34)