5-(1,3-benzodioxol-5-yl)-4-phenyl-pyrrolo[3,2-d]pyrimidine-7-carbonitrile

Systemtic Name: 5-(1,3-benzodioxol-5-yl)-4-phenyl-pyrrolo[3,2-d]pyrimidine-7-carbonitrile Openeye Name: 5-(1,3-benzodioxol-5-yl)-4-phenyl-pyrrolo[3,2-d]pyrimidine-7-carbonitrile CAS Name: 5-(1,3-benzodioxol-5-yl)-4-phenyl-7-pyrrolo[3,2-d]pyrimidinecarbonitrile IUPAC Name: 5-(1,3-benzodioxol-5-yl)-4-phenylpyrrolo[3,2-d]pyrimidine-7-carbonitrile Traditional Name: 5-(1,3-benzodioxol-5-yl)-4-phenyl-pyrrolo[3,2-d]pyrimidine-7-carbonitrile Formula: C20H12N4O2 MolecularWeight: 340.33488

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Descriptors Computed from Structure

Canonical SMILES:

C1OC2=C(O1)C=C(C=C2)N3C=C(C4=C3C(=NC=N4)C5=CC=CC=C5)C#N

Isomeric SMILES

C1OC2=C(O1)C=C(C=C2)N3C=C(C4=C3C(=NC=N4)C5=CC=CC=C5)C#N

InChI

InChI=1S/C20H12N4O2/c21-9-14-10-24(15-6-7-16-17(8-15)26-12-25-16)20-18(22-11-23-19(14)20)13-4-2-1-3-5-13/h1-8,10-11H,12H2