2-[7-(6-azanyl-4-oxidanylidene-7H-pyrrolo[2,3-d]pyrimidin-3-yl)heptanoylamino]pentanedioic acid

Systemtic Name: 2-[7-(6-azanyl-4-oxidanylidene-7H-pyrrolo[2,3-d]pyrimidin-3-yl)heptanoylamino]pentanedioic acid Openeye Name: 2-[7-(6-amino-4-oxo-7H-pyrrolo[2,3-d]pyrimidin-3-yl)heptanoylamino]pentanedioic acid CAS Name: 2-[[7-(6-amino-4-oxo-7H-pyrrolo[2,3-d]pyrimidin-3-yl)-1-oxoheptyl]amino]pentanedioic acid IUPAC Name: 2-[7-(6-amino-4-oxo-7H-pyrrolo[2,3-d]pyrimidin-3-yl)heptanoylamino]pentanedioic acid Traditional Name: 2-[7-(6-amino-4-keto-7H-pyrrolo[2,3-d]pyrimidin-3-yl)heptanoylamino]glutaric acid Formula: C18H25N5O6 MolecularWeight: 407.421

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Descriptors Computed from Structure

Canonical SMILES:

C1=C(NC2=C1C(=O)N(C=N2)CCCCCCC(=O)NC(CCC(=O)O)C(=O)O)N

Isomeric SMILES

C1=C(NC2=C1C(=O)N(C=N2)CCCCCCC(=O)NC(CCC(=O)O)C(=O)O)N

InChI

InChI=1S/C18H25N5O6/c19-13-9-11-16(22-13)20-10-23(17(11)27)8-4-2-1-3-5-14(24)21-12(18(28)29)6-7-15(25)26/h9-10,12,22H,1-8,19H2,(H,21,24)(H,25,26)(H,28,29)