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

Systemtic Name: 9-(1,3-benzodioxol-5-yl)-8-oxidanylidene-2-(4-oxidanylidenecyclohexa-2,5-dien-1-ylidene)-1,7-dihydropurine-6-carboxamide Openeye Name: 9-(1,3-benzodioxol-5-yl)-8-oxo-2-(4-oxocyclohexa-2,5-dien-1-ylidene)-1,7-dihydropurine-6-carboxamide CAS Name: 9-(1,3-benzodioxol-5-yl)-8-oxo-2-(4-oxo-1-cyclohexa-2,5-dienylidene)-1,7-dihydropurine-6-carboxamide IUPAC Name: 9-(1,3-benzodioxol-5-yl)-8-oxo-2-(4-oxocyclohexa-2,5-dien-1-ylidene)-1,7-dihydropurine-6-carboxamide Traditional Name: 9-(1,3-benzodioxol-5-yl)-8-keto-2-(4-ketocyclohexa-2,5-dien-1-ylidene)-1,7-dihydropurine-6-carboxamide Formula: C19H13N5O5 MolecularWeight: 391.33702

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1OC2=C(O1)C=C(C=C2)N3C4=NC(=C5C=CC(=O)C=C5)NC(=C4NC3=O)C(=O)N

Isomeric SMILES

C1OC2=C(O1)C=C(C=C2)N3C4=NC(=C5C=CC(=O)C=C5)NC(=C4NC3=O)C(=O)N

InChI

InChI=1S/C19H13N5O5/c20-16(26)14-15-18(23-17(21-14)9-1-4-11(25)5-2-9)24(19(27)22-15)10-3-6-12-13(7-10)29-8-28-12/h1-7,21H,8H2,(H2,20,26)(H,22,27)