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

Systemtic Name: 2-[8-(3-azanylpiperidin-1-yl)-3-methyl-2,6-bis(oxidanylidene)-7-(phenylmethyl)purin-1-yl]-N-pyridin-2-yl-ethanamide Openeye Name: 2-[8-(3-amino-1-piperidyl)-7-benzyl-3-methyl-2,6-dioxo-purin-1-yl]-N-(2-pyridyl)acetamide CAS Name: 2-[8-(3-amino-1-piperidinyl)-3-methyl-2,6-dioxo-7-(phenylmethyl)-1-purinyl]-N-(2-pyridinyl)acetamide IUPAC Name: 2-[8-(3-aminopiperidin-1-yl)-7-benzyl-3-methyl-2,6-dioxopurin-1-yl]-N-pyridin-2-ylacetamide Traditional Name: 2-[8-(3-aminopiperidino)-7-benzyl-2,6-diketo-3-methyl-purin-1-yl]-N-(2-pyridyl)acetamide Formula: C25H28N8O3 MolecularWeight: 488.54162

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C(=O)N(C1=O)CC(=O)NC3=CC=CC=N3)N(C(=N2)N4CCCC(C4)N)CC5=CC=CC=C5

Isomeric SMILES

CN1C2=C(C(=O)N(C1=O)CC(=O)NC3=CC=CC=N3)N(C(=N2)N4CCCC(C4)N)CC5=CC=CC=C5

InChI

InChI=1S/C25H28N8O3/c1-30-22-21(23(35)33(25(30)36)16-20(34)28-19-11-5-6-12-27-19)32(14-17-8-3-2-4-9-17)24(29-22)31-13-7-10-18(26)15-31/h2-6,8-9,11-12,18H,7,10,13-16,26H2,1H3,(H,27,28,34)