9-(1,3-benzodioxol-5-yl)-2-(3-bromanyl-6-oxidanylidene-cyclohexa-2,4-dien-1-ylidene)-8-oxidanylidene-1,7-dihydropurine-6-carboxamide

Systemtic Name: 9-(1,3-benzodioxol-5-yl)-2-(3-bromanyl-6-oxidanylidene-cyclohexa-2,4-dien-1-ylidene)-8-oxidanylidene-1,7-dihydropurine-6-carboxamide Openeye Name: 9-(1,3-benzodioxol-5-yl)-2-(3-bromo-6-oxo-cyclohexa-2,4-dien-1-ylidene)-8-oxo-1,7-dihydropurine-6-carboxamide CAS Name: 9-(1,3-benzodioxol-5-yl)-2-(3-bromo-6-oxo-1-cyclohexa-2,4-dienylidene)-8-oxo-1,7-dihydropurine-6-carboxamide IUPAC Name: 9-(1,3-benzodioxol-5-yl)-2-(3-bromo-6-oxocyclohexa-2,4-dien-1-ylidene)-8-oxo-1,7-dihydropurine-6-carboxamide Traditional Name: 9-(1,3-benzodioxol-5-yl)-2-(3-bromo-6-keto-cyclohexa-2,4-dien-1-ylidene)-8-keto-1,7-dihydropurine-6-carboxamide Formula: C19H12BrN5O5 MolecularWeight: 470.23308

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Descriptors Computed from Structure

Canonical SMILES:

C1OC2=C(O1)C=C(C=C2)N3C4=NC(=C5C=C(C=CC5=O)Br)NC(=C4NC3=O)C(=O)N

Isomeric SMILES

C1OC2=C(O1)C=C(C=C2)N3C4=NC(=C5C=C(C=CC5=O)Br)NC(=C4NC3=O)C(=O)N

InChI

InChI=1S/C19H12BrN5O5/c20-8-1-3-11(26)10(5-8)17-22-14(16(21)27)15-18(24-17)25(19(28)23-15)9-2-4-12-13(6-9)30-7-29-12/h1-6,22H,7H2,(H2,21,27)(H,23,28)