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

Systemtic Name: 9-(1,3-benzodioxol-5-yl)-2-(4-ethoxyphenyl)-8-oxidanylidene-7H-purine-6-carboxamide Openeye Name: 9-(1,3-benzodioxol-5-yl)-2-(4-ethoxyphenyl)-8-oxo-7H-purine-6-carboxamide CAS Name: 9-(1,3-benzodioxol-5-yl)-2-(4-ethoxyphenyl)-8-oxo-7H-purine-6-carboxamide IUPAC Name: 9-(1,3-benzodioxol-5-yl)-2-(4-ethoxyphenyl)-8-oxo-7H-purine-6-carboxamide Traditional Name: 9-(1,3-benzodioxol-5-yl)-8-keto-2-p-phenetyl-7H-purine-6-carboxamide Formula: C21H17N5O5 MolecularWeight: 419.39018

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=C(C=C1)C2=NC(=C3C(=N2)N(C(=O)N3)C4=CC5=C(C=C4)OCO5)C(=O)N

Isomeric SMILES

CCOC1=CC=C(C=C1)C2=NC(=C3C(=N2)N(C(=O)N3)C4=CC5=C(C=C4)OCO5)C(=O)N

InChI

InChI=1S/C21H17N5O5/c1-2-29-13-6-3-11(4-7-13)19-23-16(18(22)27)17-20(25-19)26(21(28)24-17)12-5-8-14-15(9-12)31-10-30-14/h3-9H,2,10H2,1H3,(H2,22,27)(H,24,28)