N-(1-azabicyclo[2.2.2]octan-3-yl)-2-[8-(3-azanylpiperidin-1-yl)-3-methyl-2,6-bis(oxidanylidene)-7-(phenylmethyl)purin-1-yl]ethanamide

Systemtic Name: N-(1-azabicyclo[2.2.2]octan-3-yl)-2-[8-(3-azanylpiperidin-1-yl)-3-methyl-2,6-bis(oxidanylidene)-7-(phenylmethyl)purin-1-yl]ethanamide Openeye Name: 2-[8-(3-amino-1-piperidyl)-7-benzyl-3-methyl-2,6-dioxo-purin-1-yl]-N-quinuclidin-3-yl-acetamide CAS Name: 2-[8-(3-amino-1-piperidinyl)-3-methyl-2,6-dioxo-7-(phenylmethyl)-1-purinyl]-N-(1-azabicyclo[2.2.2]octan-3-yl)acetamide IUPAC Name: 2-[8-(3-aminopiperidin-1-yl)-7-benzyl-3-methyl-2,6-dioxopurin-1-yl]-N-(1-azabicyclo[2.2.2]octan-3-yl)acetamide Traditional Name: 2-[8-(3-aminopiperidino)-7-benzyl-2,6-diketo-3-methyl-purin-1-yl]-N-quinuclidin-3-yl-acetamide Formula: C27H36N8O3 MolecularWeight: 520.62654

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C(=O)N(C1=O)CC(=O)NC3CN4CCC3CC4)N(C(=N2)N5CCCC(C5)N)CC6=CC=CC=C6

Isomeric SMILES

CN1C2=C(C(=O)N(C1=O)CC(=O)NC3CN4CCC3CC4)N(C(=N2)N5CCCC(C5)N)CC6=CC=CC=C6

InChI

InChI=1S/C27H36N8O3/c1-31-24-23(25(37)35(27(31)38)17-22(36)29-21-16-32-12-9-19(21)10-13-32)34(14-18-6-3-2-4-7-18)26(30-24)33-11-5-8-20(28)15-33/h2-4,6-7,19-21H,5,8-17,28H2,1H3,(H,29,36)