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

Systemtic Name: 9-(1,3-benzodioxol-5-yl)-8-oxidanylidene-2-propyl-7H-purine-6-carboxamide Openeye Name: 9-(1,3-benzodioxol-5-yl)-8-oxo-2-propyl-7H-purine-6-carboxamide CAS Name: 9-(1,3-benzodioxol-5-yl)-8-oxo-2-propyl-7H-purine-6-carboxamide IUPAC Name: 9-(1,3-benzodioxol-5-yl)-8-oxo-2-propyl-7H-purine-6-carboxamide Traditional Name: 9-(1,3-benzodioxol-5-yl)-8-keto-2-propyl-7H-purine-6-carboxamide Formula: C16H15N5O4 MolecularWeight: 341.3214

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=NC(=C2C(=N1)N(C(=O)N2)C3=CC4=C(C=C3)OCO4)C(=O)N

Isomeric SMILES

CCCC1=NC(=C2C(=N1)N(C(=O)N2)C3=CC4=C(C=C3)OCO4)C(=O)N

InChI

InChI=1S/C16H15N5O4/c1-2-3-11-18-12(14(17)22)13-15(19-11)21(16(23)20-13)8-4-5-9-10(6-8)25-7-24-9/h4-6H,2-3,7H2,1H3,(H2,17,22)(H,20,23)