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

Systemtic Name: 2-[3,7-dimethyl-2,6-bis(oxidanylidene)purin-1-yl]-N-(6-ethanoyl-1,3-benzodioxol-5-yl)ethanamide Openeye Name: N-(6-acetyl-1,3-benzodioxol-5-yl)-2-(3,7-dimethyl-2,6-dioxo-purin-1-yl)acetamide CAS Name: N-(6-acetyl-1,3-benzodioxol-5-yl)-2-(3,7-dimethyl-2,6-dioxo-1-purinyl)acetamide IUPAC Name: N-(6-acetyl-1,3-benzodioxol-5-yl)-2-(3,7-dimethyl-2,6-dioxopurin-1-yl)acetamide Traditional Name: N-(6-acetyl-1,3-benzodioxol-5-yl)-2-(2,6-diketo-3,7-dimethyl-purin-1-yl)acetamide Formula: C18H17N5O6 MolecularWeight: 399.35748

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C1=CC2=C(C=C1NC(=O)CN3C(=O)C4=C(N=CN4C)N(C3=O)C)OCO2

Isomeric SMILES

CC(=O)C1=CC2=C(C=C1NC(=O)CN3C(=O)C4=C(N=CN4C)N(C3=O)C)OCO2

InChI

InChI=1S/C18H17N5O6/c1-9(24)10-4-12-13(29-8-28-12)5-11(10)20-14(25)6-23-17(26)15-16(19-7-21(15)2)22(3)18(23)27/h4-5,7H,6,8H2,1-3H3,(H,20,25)