5-(1,3-benzodioxol-5-ylmethyl)-4-oxidanylidene-1H-pyrrolo[3,2-d]pyrimidine-7-carbaldehyde

Systemtic Name: 5-(1,3-benzodioxol-5-ylmethyl)-4-oxidanylidene-1H-pyrrolo[3,2-d]pyrimidine-7-carbaldehyde Openeye Name: 5-(1,3-benzodioxol-5-ylmethyl)-4-oxo-1H-pyrrolo[3,2-d]pyrimidine-7-carbaldehyde CAS Name: 5-(1,3-benzodioxol-5-ylmethyl)-4-oxo-1H-pyrrolo[3,2-d]pyrimidine-7-carboxaldehyde IUPAC Name: 5-(1,3-benzodioxol-5-ylmethyl)-4-oxo-1H-pyrrolo[3,2-d]pyrimidine-7-carbaldehyde Traditional Name: 4-keto-5-piperonyl-1H-pyrrolo[3,2-d]pyrimidine-7-carbaldehyde Formula: C15H11N3O4 MolecularWeight: 297.26554

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1OC2=C(O1)C=C(C=C2)CN3C=C(C4=C3C(=O)N=CN4)C=O

Isomeric SMILES

C1OC2=C(O1)C=C(C=C2)CN3C=C(C4=C3C(=O)N=CN4)C=O

InChI

InChI=1S/C15H11N3O4/c19-6-10-5-18(14-13(10)16-7-17-15(14)20)4-9-1-2-11-12(3-9)22-8-21-11/h1-3,5-7H,4,8H2,(H,16,17,20)