4-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-(3-methylphenyl)pyrrolo[3,2-d]pyrimidine-7-carbonitrile

Systemtic Name: 4-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-(3-methylphenyl)pyrrolo[3,2-d]pyrimidine-7-carbonitrile Openeye Name: 4-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-(m-tolyl)pyrrolo[3,2-d]pyrimidine-7-carbonitrile CAS Name: 4-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-(3-methylphenyl)-7-pyrrolo[3,2-d]pyrimidinecarbonitrile IUPAC Name: 4-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-(3-methylphenyl)pyrrolo[3,2-d]pyrimidine-7-carbonitrile Traditional Name: 4-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-(m-tolyl)pyrrolo[3,2-d]pyrimidine-7-carbonitrile Formula: C22H16N4O2 MolecularWeight: 368.38804

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)N2C=C(C3=C2C(=NC=N3)C4=CC5=C(C=C4)OCCO5)C#N

Isomeric SMILES

CC1=CC(=CC=C1)N2C=C(C3=C2C(=NC=N3)C4=CC5=C(C=C4)OCCO5)C#N

InChI

InChI=1S/C22H16N4O2/c1-14-3-2-4-17(9-14)26-12-16(11-23)21-22(26)20(24-13-25-21)15-5-6-18-19(10-15)28-8-7-27-18/h2-6,9-10,12-13H,7-8H2,1H3