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

Systemtic Name: 9-(1,3-benzodioxol-5-yl)-8-oxidanylidene-2-phenethyl-7H-purine-6-carboxamide Openeye Name: 9-(1,3-benzodioxol-5-yl)-8-oxo-2-phenethyl-7H-purine-6-carboxamide CAS Name: 9-(1,3-benzodioxol-5-yl)-8-oxo-2-phenethyl-7H-purine-6-carboxamide IUPAC Name: 9-(1,3-benzodioxol-5-yl)-8-oxo-2-phenethyl-7H-purine-6-carboxamide Traditional Name: 9-(1,3-benzodioxol-5-yl)-8-keto-2-phenethyl-7H-purine-6-carboxamide Formula: C21H17N5O4 MolecularWeight: 403.39078

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Descriptors Computed from Structure

Canonical SMILES:

C1OC2=C(O1)C=C(C=C2)N3C4=NC(=NC(=C4NC3=O)C(=O)N)CCC5=CC=CC=C5

Isomeric SMILES

C1OC2=C(O1)C=C(C=C2)N3C4=NC(=NC(=C4NC3=O)C(=O)N)CCC5=CC=CC=C5

InChI

InChI=1S/C21H17N5O4/c22-19(27)17-18-20(24-16(23-17)9-6-12-4-2-1-3-5-12)26(21(28)25-18)13-7-8-14-15(10-13)30-11-29-14/h1-5,7-8,10H,6,9,11H2,(H2,22,27)(H,25,28)