4-(azepan-1-yl)-1-(4-methylphenyl)pyrazolo[3,4-d]pyrimidine

Systemtic Name: 4-(azepan-1-yl)-1-(4-methylphenyl)pyrazolo[3,4-d]pyrimidine Openeye Name: 4-(azepan-1-yl)-1-(p-tolyl)pyrazolo[3,4-d]pyrimidine CAS Name: 4-(1-azepanyl)-1-(4-methylphenyl)pyrazolo[3,4-d]pyrimidine IUPAC Name: 4-(azepan-1-yl)-1-(4-methylphenyl)pyrazolo[3,4-d]pyrimidine Traditional Name: 4-(azepan-1-yl)-1-(p-tolyl)pyrazolo[3,4-d]pyrimidine Formula: C18H21N5 MolecularWeight: 307.39284

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)N2C3=C(C=N2)C(=NC=N3)N4CCCCCC4

Isomeric SMILES

CC1=CC=C(C=C1)N2C3=C(C=N2)C(=NC=N3)N4CCCCCC4

InChI

InChI=1S/C18H21N5/c1-14-6-8-15(9-7-14)23-18-16(12-21-23)17(19-13-20-18)22-10-4-2-3-5-11-22/h6-9,12-13H,2-5,10-11H2,1H3