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

Systemtic Name: 9-(1,3-benzodioxol-5-yl)-2-ethyl-8-oxidanylidene-7H-purine-6-carboxamide Openeye Name: 9-(1,3-benzodioxol-5-yl)-2-ethyl-8-oxo-7H-purine-6-carboxamide CAS Name: 9-(1,3-benzodioxol-5-yl)-2-ethyl-8-oxo-7H-purine-6-carboxamide IUPAC Name: 9-(1,3-benzodioxol-5-yl)-2-ethyl-8-oxo-7H-purine-6-carboxamide Traditional Name: 9-(1,3-benzodioxol-5-yl)-2-ethyl-8-keto-7H-purine-6-carboxamide Formula: C15H13N5O4 MolecularWeight: 327.29482

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=NC(=C2C(=N1)N(C(=O)N2)C3=CC4=C(C=C3)OCO4)C(=O)N

Isomeric SMILES

CCC1=NC(=C2C(=N1)N(C(=O)N2)C3=CC4=C(C=C3)OCO4)C(=O)N

InChI

InChI=1S/C15H13N5O4/c1-2-10-17-11(13(16)21)12-14(18-10)20(15(22)19-12)7-3-4-8-9(5-7)24-6-23-8/h3-5H,2,6H2,1H3,(H2,16,21)(H,19,22)