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

Systemtic Name: 9-(1,3-benzodioxol-5-yl)-2-hexyl-8-oxidanylidene-7H-purine-6-carboxamide Openeye Name: 9-(1,3-benzodioxol-5-yl)-2-hexyl-8-oxo-7H-purine-6-carboxamide CAS Name: 9-(1,3-benzodioxol-5-yl)-2-hexyl-8-oxo-7H-purine-6-carboxamide IUPAC Name: 9-(1,3-benzodioxol-5-yl)-2-hexyl-8-oxo-7H-purine-6-carboxamide Traditional Name: 9-(1,3-benzodioxol-5-yl)-2-hexyl-8-keto-7H-purine-6-carboxamide Formula: C19H21N5O4 MolecularWeight: 383.40114

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCC1=NC(=C2C(=N1)N(C(=O)N2)C3=CC4=C(C=C3)OCO4)C(=O)N

Isomeric SMILES

CCCCCCC1=NC(=C2C(=N1)N(C(=O)N2)C3=CC4=C(C=C3)OCO4)C(=O)N

InChI

InChI=1S/C19H21N5O4/c1-2-3-4-5-6-14-21-15(17(20)25)16-18(22-14)24(19(26)23-16)11-7-8-12-13(9-11)28-10-27-12/h7-9H,2-6,10H2,1H3,(H2,20,25)(H,23,26)