6-cyclopropyl-4-(1,4-diazepan-1-yl)-3-methyl-1-(4-methylphenyl)pyrazolo[3,4-d]pyrimidine

Systemtic Name: 6-cyclopropyl-4-(1,4-diazepan-1-yl)-3-methyl-1-(4-methylphenyl)pyrazolo[3,4-d]pyrimidine Openeye Name: 6-cyclopropyl-4-(1,4-diazepan-1-yl)-3-methyl-1-(p-tolyl)pyrazolo[3,4-d]pyrimidine CAS Name: 6-cyclopropyl-4-(1,4-diazepan-1-yl)-3-methyl-1-(4-methylphenyl)pyrazolo[3,4-d]pyrimidine IUPAC Name: 6-cyclopropyl-4-(1,4-diazepan-1-yl)-3-methyl-1-(4-methylphenyl)pyrazolo[3,4-d]pyrimidine Traditional Name: 6-cyclopropyl-4-(1,4-diazepan-1-yl)-3-methyl-1-(p-tolyl)pyrazolo[3,4-d]pyrimidine Formula: C21H26N6 MolecularWeight: 362.47134

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)N2C3=C(C(=N2)C)C(=NC(=N3)C4CC4)N5CCCNCC5

Isomeric SMILES

CC1=CC=C(C=C1)N2C3=C(C(=N2)C)C(=NC(=N3)C4CC4)N5CCCNCC5

InChI

InChI=1S/C21H26N6/c1-14-4-8-17(9-5-14)27-21-18(15(2)25-27)20(23-19(24-21)16-6-7-16)26-12-3-10-22-11-13-26/h4-5,8-9,16,22H,3,6-7,10-13H2,1-2H3