N-(1,3-benzodioxol-5-ylmethyl)-2-[1-(2-imidazol-1-yl-7H-purin-6-yl)piperidin-2-yl]ethanamide

Systemtic Name: N-(1,3-benzodioxol-5-ylmethyl)-2-[1-(2-imidazol-1-yl-7H-purin-6-yl)piperidin-2-yl]ethanamide Openeye Name: N-(1,3-benzodioxol-5-ylmethyl)-2-[1-(2-imidazol-1-yl-7H-purin-6-yl)-2-piperidyl]acetamide CAS Name: N-(1,3-benzodioxol-5-ylmethyl)-2-[1-[2-(1-imidazolyl)-7H-purin-6-yl]-2-piperidinyl]acetamide IUPAC Name: N-(1,3-benzodioxol-5-ylmethyl)-2-[1-(2-imidazol-1-yl-7H-purin-6-yl)piperidin-2-yl]acetamide Traditional Name: 2-[1-(2-imidazol-1-yl-7H-purin-6-yl)-2-piperidyl]-N-piperonyl-acetamide Formula: C23H24N8O3 MolecularWeight: 460.48846

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C(C1)CC(=O)NCC2=CC3=C(C=C2)OCO3)C4=NC(=NC5=C4NC=N5)N6C=CN=C6

Isomeric SMILES

C1CCN(C(C1)CC(=O)NCC2=CC3=C(C=C2)OCO3)C4=NC(=NC5=C4NC=N5)N6C=CN=C6

InChI

InChI=1S/C23H24N8O3/c32-19(25-11-15-4-5-17-18(9-15)34-14-33-17)10-16-3-1-2-7-31(16)22-20-21(27-12-26-20)28-23(29-22)30-8-6-24-13-30/h4-6,8-9,12-13,16H,1-3,7,10-11,14H2,(H,25,32)(H,26,27,28,29)