2-[8-(3-azanylpiperidin-1-yl)-3-methyl-2,6-bis(oxidanylidene)-7-(phenylmethyl)purin-1-yl]-N-cyclopentyl-ethanamide

Systemtic Name: 2-[8-(3-azanylpiperidin-1-yl)-3-methyl-2,6-bis(oxidanylidene)-7-(phenylmethyl)purin-1-yl]-N-cyclopentyl-ethanamide Openeye Name: 2-[8-(3-amino-1-piperidyl)-7-benzyl-3-methyl-2,6-dioxo-purin-1-yl]-N-cyclopentyl-acetamide CAS Name: 2-[8-(3-amino-1-piperidinyl)-3-methyl-2,6-dioxo-7-(phenylmethyl)-1-purinyl]-N-cyclopentylacetamide IUPAC Name: 2-[8-(3-aminopiperidin-1-yl)-7-benzyl-3-methyl-2,6-dioxopurin-1-yl]-N-cyclopentylacetamide Traditional Name: 2-[8-(3-aminopiperidino)-7-benzyl-2,6-diketo-3-methyl-purin-1-yl]-N-cyclopentyl-acetamide Formula: C25H33N7O3 MolecularWeight: 479.57462

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C(=O)N(C1=O)CC(=O)NC3CCCC3)N(C(=N2)N4CCCC(C4)N)CC5=CC=CC=C5

Isomeric SMILES

CN1C2=C(C(=O)N(C1=O)CC(=O)NC3CCCC3)N(C(=N2)N4CCCC(C4)N)CC5=CC=CC=C5

InChI

InChI=1S/C25H33N7O3/c1-29-22-21(23(34)32(25(29)35)16-20(33)27-19-11-5-6-12-19)31(14-17-8-3-2-4-9-17)24(28-22)30-13-7-10-18(26)15-30/h2-4,8-9,18-19H,5-7,10-16,26H2,1H3,(H,27,33)