[3-butyl-7-methyl-2,6-bis(oxidanylidene)purin-8-yl]methyl 1,3-benzodioxole-5-carboxylate

Systemtic Name: [3-butyl-7-methyl-2,6-bis(oxidanylidene)purin-8-yl]methyl 1,3-benzodioxole-5-carboxylate Openeye Name: (3-butyl-7-methyl-2,6-dioxo-purin-8-yl)methyl 1,3-benzodioxole-5-carboxylate CAS Name: 1,3-benzodioxole-5-carboxylic acid (3-butyl-7-methyl-2,6-dioxo-8-purinyl)methyl ester IUPAC Name: (3-butyl-7-methyl-2,6-dioxopurin-8-yl)methyl 1,3-benzodioxole-5-carboxylate Traditional Name: piperonylic acid (3-butyl-2,6-diketo-7-methyl-purin-8-yl)methyl ester Formula: C19H20N4O6 MolecularWeight: 400.3853

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN1C2=C(C(=O)NC1=O)N(C(=N2)COC(=O)C3=CC4=C(C=C3)OCO4)C

Isomeric SMILES

CCCCN1C2=C(C(=O)NC1=O)N(C(=N2)COC(=O)C3=CC4=C(C=C3)OCO4)C

InChI

InChI=1S/C19H20N4O6/c1-3-4-7-23-16-15(17(24)21-19(23)26)22(2)14(20-16)9-27-18(25)11-5-6-12-13(8-11)29-10-28-12/h5-6,8H,3-4,7,9-10H2,1-2H3,(H,21,24,26)