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

Systemtic Name: 2-[[4-[4-(6-azanyl-2-methyl-4-oxidanylidene-1H-pyrimidin-5-yl)butyl]phenyl]carbonylamino]pentanedioic acid Openeye Name: 2-[[4-[4-(6-amino-2-methyl-4-oxo-1H-pyrimidin-5-yl)butyl]benzoyl]amino]pentanedioic acid CAS Name: 2-[[[4-[4-(6-amino-2-methyl-4-oxo-1H-pyrimidin-5-yl)butyl]phenyl]-oxomethyl]amino]pentanedioic acid IUPAC Name: 2-[[4-[4-(6-amino-2-methyl-4-oxo-1H-pyrimidin-5-yl)butyl]benzoyl]amino]pentanedioic acid Traditional Name: 2-[[4-[4-(6-amino-4-keto-2-methyl-1H-pyrimidin-5-yl)butyl]benzoyl]amino]glutaric acid Formula: C21H26N4O6 MolecularWeight: 430.45434

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC(=O)C(=C(N1)N)CCCCC2=CC=C(C=C2)C(=O)NC(CCC(=O)O)C(=O)O

Isomeric SMILES

CC1=NC(=O)C(=C(N1)N)CCCCC2=CC=C(C=C2)C(=O)NC(CCC(=O)O)C(=O)O

InChI

InChI=1S/C21H26N4O6/c1-12-23-18(22)15(20(29)24-12)5-3-2-4-13-6-8-14(9-7-13)19(28)25-16(21(30)31)10-11-17(26)27/h6-9,16H,2-5,10-11H2,1H3,(H,25,28)(H,26,27)(H,30,31)(H3,22,23,24,29)