N-(1,3-benzodioxol-5-ylmethyl)-2-[3,7-dibutyl-2,6-bis(oxidanylidene)purin-1-yl]ethanamide

Systemtic Name: N-(1,3-benzodioxol-5-ylmethyl)-2-[3,7-dibutyl-2,6-bis(oxidanylidene)purin-1-yl]ethanamide Openeye Name: N-(1,3-benzodioxol-5-ylmethyl)-2-(3,7-dibutyl-2,6-dioxo-purin-1-yl)acetamide CAS Name: N-(1,3-benzodioxol-5-ylmethyl)-2-(3,7-dibutyl-2,6-dioxo-1-purinyl)acetamide IUPAC Name: N-(1,3-benzodioxol-5-ylmethyl)-2-(3,7-dibutyl-2,6-dioxopurin-1-yl)acetamide Traditional Name: 2-(3,7-dibutyl-2,6-diketo-purin-1-yl)-N-piperonyl-acetamide Formula: C23H29N5O5 MolecularWeight: 455.50686

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN1C=NC2=C1C(=O)N(C(=O)N2CCCC)CC(=O)NCC3=CC4=C(C=C3)OCO4

Isomeric SMILES

CCCCN1C=NC2=C1C(=O)N(C(=O)N2CCCC)CC(=O)NCC3=CC4=C(C=C3)OCO4

InChI

InChI=1S/C23H29N5O5/c1-3-5-9-26-14-25-21-20(26)22(30)28(23(31)27(21)10-6-4-2)13-19(29)24-12-16-7-8-17-18(11-16)33-15-32-17/h7-8,11,14H,3-6,9-10,12-13,15H2,1-2H3,(H,24,29)