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

Systemtic Name: 2-[8-(3-azanylpiperidin-1-yl)-3-methyl-2,6-bis(oxidanylidene)-7-(phenylmethyl)purin-1-yl]-N-cyclohexyl-ethanamide Openeye Name: 2-[8-(3-amino-1-piperidyl)-7-benzyl-3-methyl-2,6-dioxo-purin-1-yl]-N-cyclohexyl-acetamide CAS Name: 2-[8-(3-amino-1-piperidinyl)-3-methyl-2,6-dioxo-7-(phenylmethyl)-1-purinyl]-N-cyclohexylacetamide IUPAC Name: 2-[8-(3-aminopiperidin-1-yl)-7-benzyl-3-methyl-2,6-dioxopurin-1-yl]-N-cyclohexylacetamide Traditional Name: 2-[8-(3-aminopiperidino)-7-benzyl-2,6-diketo-3-methyl-purin-1-yl]-N-cyclohexyl-acetamide Formula: C26H35N7O3 MolecularWeight: 493.6012

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C(=O)N(C1=O)CC(=O)NC3CCCCC3)N(C(=N2)N4CCCC(C4)N)CC5=CC=CC=C5

Isomeric SMILES

CN1C2=C(C(=O)N(C1=O)CC(=O)NC3CCCCC3)N(C(=N2)N4CCCC(C4)N)CC5=CC=CC=C5

InChI

InChI=1S/C26H35N7O3/c1-30-23-22(24(35)33(26(30)36)17-21(34)28-20-12-6-3-7-13-20)32(15-18-9-4-2-5-10-18)25(29-23)31-14-8-11-19(27)16-31/h2,4-5,9-10,19-20H,3,6-8,11-17,27H2,1H3,(H,28,34)