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

Systemtic Name: 5-(1,3-benzodioxol-5-ylmethyl)-4-oxidanylidene-1H-pyrrolo[3,2-d]pyrimidine-7-carbonitrile Openeye Name: 5-(1,3-benzodioxol-5-ylmethyl)-4-oxo-1H-pyrrolo[3,2-d]pyrimidine-7-carbonitrile CAS Name: 5-(1,3-benzodioxol-5-ylmethyl)-4-oxo-1H-pyrrolo[3,2-d]pyrimidine-7-carbonitrile IUPAC Name: 5-(1,3-benzodioxol-5-ylmethyl)-4-oxo-1H-pyrrolo[3,2-d]pyrimidine-7-carbonitrile Traditional Name: 4-keto-5-piperonyl-1H-pyrrolo[3,2-d]pyrimidine-7-carbonitrile Formula: C15H10N4O3 MolecularWeight: 294.2649

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#N

Isomeric SMILES

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

InChI

InChI=1S/C15H10N4O3/c16-4-10-6-19(14-13(10)17-7-18-15(14)20)5-9-1-2-11-12(3-9)22-8-21-11/h1-3,6-7H,5,8H2,(H,17,18,20)