9-(1,3-benzodioxol-5-yl)-2-butyl-8-oxidanylidene-7H-purine-6-carboxamide

Systemtic Name: 9-(1,3-benzodioxol-5-yl)-2-butyl-8-oxidanylidene-7H-purine-6-carboxamide Openeye Name: 9-(1,3-benzodioxol-5-yl)-2-butyl-8-oxo-7H-purine-6-carboxamide CAS Name: 9-(1,3-benzodioxol-5-yl)-2-butyl-8-oxo-7H-purine-6-carboxamide IUPAC Name: 9-(1,3-benzodioxol-5-yl)-2-butyl-8-oxo-7H-purine-6-carboxamide Traditional Name: 9-(1,3-benzodioxol-5-yl)-2-butyl-8-keto-7H-purine-6-carboxamide Formula: C17H17N5O4 MolecularWeight: 355.34798

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=NC(=C2C(=N1)N(C(=O)N2)C3=CC4=C(C=C3)OCO4)C(=O)N

Isomeric SMILES

CCCCC1=NC(=C2C(=N1)N(C(=O)N2)C3=CC4=C(C=C3)OCO4)C(=O)N

InChI

InChI=1S/C17H17N5O4/c1-2-3-4-12-19-13(15(18)23)14-16(20-12)22(17(24)21-14)9-5-6-10-11(7-9)26-8-25-10/h5-7H,2-4,8H2,1H3,(H2,18,23)(H,21,24)