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

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

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C(=O)N(C1=O)CC(=O)NC3=CN=CC=C3)N(C(=N2)N4CCCC(C4)N)CC5=CC=CC=C5

Isomeric SMILES

CN1C2=C(C(=O)N(C1=O)CC(=O)NC3=CN=CC=C3)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)28-19-10-5-11-27-13-19)32(14-17-7-3-2-4-8-17)24(29-22)31-12-6-9-18(26)15-31/h2-5,7-8,10-11,13,18H,6,9,12,14-16,26H2,1H3,(H,28,34)