N-(1,3-benzodioxol-5-ylmethyl)-3-[3,7-dibutyl-2,6-bis(oxidanylidene)purin-8-yl]-N-methyl-propanamide

Systemtic Name: N-(1,3-benzodioxol-5-ylmethyl)-3-[3,7-dibutyl-2,6-bis(oxidanylidene)purin-8-yl]-N-methyl-propanamide Openeye Name: N-(1,3-benzodioxol-5-ylmethyl)-3-(3,7-dibutyl-2,6-dioxo-purin-8-yl)-N-methyl-propanamide CAS Name: N-(1,3-benzodioxol-5-ylmethyl)-3-(3,7-dibutyl-2,6-dioxo-8-purinyl)-N-methylpropanamide IUPAC Name: N-(1,3-benzodioxol-5-ylmethyl)-3-(3,7-dibutyl-2,6-dioxopurin-8-yl)-N-methylpropanamide Traditional Name: 3-(3,7-dibutyl-2,6-diketo-purin-8-yl)-N-methyl-N-piperonyl-propionamide Formula: C25H33N5O5 MolecularWeight: 483.56002

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN1C(=NC2=C1C(=O)NC(=O)N2CCCC)CCC(=O)N(C)CC3=CC4=C(C=C3)OCO4

Isomeric SMILES

CCCCN1C(=NC2=C1C(=O)NC(=O)N2CCCC)CCC(=O)N(C)CC3=CC4=C(C=C3)OCO4

InChI

InChI=1S/C25H33N5O5/c1-4-6-12-29-20(26-23-22(29)24(32)27-25(33)30(23)13-7-5-2)10-11-21(31)28(3)15-17-8-9-18-19(14-17)35-16-34-18/h8-9,14H,4-7,10-13,15-16H2,1-3H3,(H,27,32,33)