4-[1,3-dimethyl-2,6-bis(oxidanylidene)purin-7-yl]-N-(6-ethanoyl-1,3-benzodioxol-5-yl)butanamide

Systemtic Name: 4-[1,3-dimethyl-2,6-bis(oxidanylidene)purin-7-yl]-N-(6-ethanoyl-1,3-benzodioxol-5-yl)butanamide Openeye Name: N-(6-acetyl-1,3-benzodioxol-5-yl)-4-(1,3-dimethyl-2,6-dioxo-purin-7-yl)butanamide CAS Name: N-(6-acetyl-1,3-benzodioxol-5-yl)-4-(1,3-dimethyl-2,6-dioxo-7-purinyl)butanamide IUPAC Name: N-(6-acetyl-1,3-benzodioxol-5-yl)-4-(1,3-dimethyl-2,6-dioxopurin-7-yl)butanamide Traditional Name: N-(6-acetyl-1,3-benzodioxol-5-yl)-4-(2,6-diketo-1,3-dimethyl-purin-7-yl)butyramide Formula: C20H21N5O6 MolecularWeight: 427.41064

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C1=CC2=C(C=C1NC(=O)CCCN3C=NC4=C3C(=O)N(C(=O)N4C)C)OCO2

Isomeric SMILES

CC(=O)C1=CC2=C(C=C1NC(=O)CCCN3C=NC4=C3C(=O)N(C(=O)N4C)C)OCO2

InChI

InChI=1S/C20H21N5O6/c1-11(26)12-7-14-15(31-10-30-14)8-13(12)22-16(27)5-4-6-25-9-21-18-17(25)19(28)24(3)20(29)23(18)2/h7-9H,4-6,10H2,1-3H3,(H,22,27)