5-[7-methyl-2,6-bis(oxidanylidene)-8-(2-piperidin-4-ylethyl)-3-propan-2-yl-purin-1-yl]pentanoic acid

Systemtic Name: 5-[7-methyl-2,6-bis(oxidanylidene)-8-(2-piperidin-4-ylethyl)-3-propan-2-yl-purin-1-yl]pentanoic acid Openeye Name: 5-[3-isopropyl-7-methyl-2,6-dioxo-8-[2-(4-piperidyl)ethyl]purin-1-yl]pentanoic acid CAS Name: 5-[7-methyl-2,6-dioxo-8-[2-(4-piperidinyl)ethyl]-3-propan-2-yl-1-purinyl]pentanoic acid IUPAC Name: 5-[7-methyl-2,6-dioxo-8-(2-piperidin-4-ylethyl)-3-propan-2-ylpurin-1-yl]pentanoic acid Traditional Name: 5-[3-isopropyl-2,6-diketo-7-methyl-8-[2-(4-piperidyl)ethyl]purin-1-yl]valeric acid Formula: C21H33N5O4 MolecularWeight: 419.51782

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)N1C2=C(C(=O)N(C1=O)CCCCC(=O)O)N(C(=N2)CCC3CCNCC3)C

Isomeric SMILES

CC(C)N1C2=C(C(=O)N(C1=O)CCCCC(=O)O)N(C(=N2)CCC3CCNCC3)C

InChI

InChI=1S/C21H33N5O4/c1-14(2)26-19-18(20(29)25(21(26)30)13-5-4-6-17(27)28)24(3)16(23-19)8-7-15-9-11-22-12-10-15/h14-15,22H,4-13H2,1-3H3,(H,27,28)