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

Systemtic Name: N-(1,3-benzodioxol-5-ylmethyl)-2-[7-ethyl-2,6-bis(oxidanylidene)-3-(phenylmethyl)purin-1-yl]ethanamide Openeye Name: N-(1,3-benzodioxol-5-ylmethyl)-2-(3-benzyl-7-ethyl-2,6-dioxo-purin-1-yl)acetamide CAS Name: N-(1,3-benzodioxol-5-ylmethyl)-2-[7-ethyl-2,6-dioxo-3-(phenylmethyl)-1-purinyl]acetamide IUPAC Name: N-(1,3-benzodioxol-5-ylmethyl)-2-(3-benzyl-7-ethyl-2,6-dioxopurin-1-yl)acetamide Traditional Name: 2-(3-benzyl-7-ethyl-2,6-diketo-purin-1-yl)-N-piperonyl-acetamide Formula: C24H23N5O5 MolecularWeight: 461.46992

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C=NC2=C1C(=O)N(C(=O)N2CC3=CC=CC=C3)CC(=O)NCC4=CC5=C(C=C4)OCO5

Isomeric SMILES

CCN1C=NC2=C1C(=O)N(C(=O)N2CC3=CC=CC=C3)CC(=O)NCC4=CC5=C(C=C4)OCO5

InChI

InChI=1S/C24H23N5O5/c1-2-27-14-26-22-21(27)23(31)29(24(32)28(22)12-16-6-4-3-5-7-16)13-20(30)25-11-17-8-9-18-19(10-17)34-15-33-18/h3-10,14H,2,11-13,15H2,1H3,(H,25,30)