9-(1,3-benzodioxol-5-yl)-2-(4-ethylphenyl)-8-oxidanylidene-7H-purine-6-carboxamide

Systemtic Name: 9-(1,3-benzodioxol-5-yl)-2-(4-ethylphenyl)-8-oxidanylidene-7H-purine-6-carboxamide Openeye Name: 9-(1,3-benzodioxol-5-yl)-2-(4-ethylphenyl)-8-oxo-7H-purine-6-carboxamide CAS Name: 9-(1,3-benzodioxol-5-yl)-2-(4-ethylphenyl)-8-oxo-7H-purine-6-carboxamide IUPAC Name: 9-(1,3-benzodioxol-5-yl)-2-(4-ethylphenyl)-8-oxo-7H-purine-6-carboxamide Traditional Name: 9-(1,3-benzodioxol-5-yl)-2-(4-ethylphenyl)-8-keto-7H-purine-6-carboxamide Formula: C21H17N5O4 MolecularWeight: 403.39078

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=C(C=C1)C2=NC(=C3C(=N2)N(C(=O)N3)C4=CC5=C(C=C4)OCO5)C(=O)N

Isomeric SMILES

CCC1=CC=C(C=C1)C2=NC(=C3C(=N2)N(C(=O)N3)C4=CC5=C(C=C4)OCO5)C(=O)N

InChI

InChI=1S/C21H17N5O4/c1-2-11-3-5-12(6-4-11)19-23-16(18(22)27)17-20(25-19)26(21(28)24-17)13-7-8-14-15(9-13)30-10-29-14/h3-9H,2,10H2,1H3,(H2,22,27)(H,24,28)