4-[2-[3-methyl-2,6-bis(oxidanylidene)-8-piperidin-1-yl-purin-7-yl]ethoxy]-4-oxidanylidene-butanoic acid

Systemtic Name: 4-[2-[3-methyl-2,6-bis(oxidanylidene)-8-piperidin-1-yl-purin-7-yl]ethoxy]-4-oxidanylidene-butanoic acid Openeye Name: 4-[2-[3-methyl-2,6-dioxo-8-(1-piperidyl)purin-7-yl]ethoxy]-4-oxo-butanoic acid CAS Name: 4-[2-[3-methyl-2,6-dioxo-8-(1-piperidinyl)-7-purinyl]ethoxy]-4-oxobutanoic acid IUPAC Name: 4-[2-(3-methyl-2,6-dioxo-8-piperidin-1-ylpurin-7-yl)ethoxy]-4-oxobutanoic acid Traditional Name: 4-[2-(2,6-diketo-3-methyl-8-piperidino-purin-7-yl)ethoxy]-4-keto-butyric acid Formula: C17H23N5O6 MolecularWeight: 393.39442

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C(=O)NC1=O)N(C(=N2)N3CCCCC3)CCOC(=O)CCC(=O)O

Isomeric SMILES

CN1C2=C(C(=O)NC1=O)N(C(=N2)N3CCCCC3)CCOC(=O)CCC(=O)O

InChI

InChI=1S/C17H23N5O6/c1-20-14-13(15(26)19-17(20)27)22(9-10-28-12(25)6-5-11(23)24)16(18-14)21-7-3-2-4-8-21/h2-10H2,1H3,(H,23,24)(H,19,26,27)