4-(azepan-1-yl)-1-(2-methylphenyl)pyrazolo[3,4-d]pyrimidine

Systemtic Name: 4-(azepan-1-yl)-1-(2-methylphenyl)pyrazolo[3,4-d]pyrimidine Openeye Name: 4-(azepan-1-yl)-1-(o-tolyl)pyrazolo[3,4-d]pyrimidine CAS Name: 4-(1-azepanyl)-1-(2-methylphenyl)pyrazolo[3,4-d]pyrimidine IUPAC Name: 4-(azepan-1-yl)-1-(2-methylphenyl)pyrazolo[3,4-d]pyrimidine Traditional Name: 4-(azepan-1-yl)-1-(o-tolyl)pyrazolo[3,4-d]pyrimidine Formula: C18H21N5 MolecularWeight: 307.39284

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1N2C3=C(C=N2)C(=NC=N3)N4CCCCCC4

Isomeric SMILES

CC1=CC=CC=C1N2C3=C(C=N2)C(=NC=N3)N4CCCCCC4

InChI

InChI=1S/C18H21N5/c1-14-8-4-5-9-16(14)23-18-15(12-21-23)17(19-13-20-18)22-10-6-2-3-7-11-22/h4-5,8-9,12-13H,2-3,6-7,10-11H2,1H3