4-[3,9-dimethyl-2,6-bis(oxidanylidene)-8-(2-piperidin-4-ylethyl)purin-1-yl]butanoic acid

Systemtic Name: 4-[3,9-dimethyl-2,6-bis(oxidanylidene)-8-(2-piperidin-4-ylethyl)purin-1-yl]butanoic acid Openeye Name: 4-[3,9-dimethyl-2,6-dioxo-8-[2-(4-piperidyl)ethyl]purin-1-yl]butanoic acid CAS Name: 4-[3,9-dimethyl-2,6-dioxo-8-[2-(4-piperidinyl)ethyl]-1-purinyl]butanoic acid IUPAC Name: 4-[3,9-dimethyl-2,6-dioxo-8-(2-piperidin-4-ylethyl)purin-1-yl]butanoic acid Traditional Name: 4-[2,6-diketo-3,9-dimethyl-8-[2-(4-piperidyl)ethyl]purin-1-yl]butyric acid Formula: C18H27N5O4 MolecularWeight: 377.43808

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(=NC2=C1N(C(=O)N(C2=O)CCCC(=O)O)C)CCC3CCNCC3

Isomeric SMILES

CN1C(=NC2=C1N(C(=O)N(C2=O)CCCC(=O)O)C)CCC3CCNCC3

InChI

InChI=1S/C18H27N5O4/c1-21-13(6-5-12-7-9-19-10-8-12)20-15-16(21)22(2)18(27)23(17(15)26)11-3-4-14(24)25/h12,19H,3-11H2,1-2H3,(H,24,25)