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

Systemtic Name: 4-(1,4-diazepan-1-yl)-6-methyl-1-(3-methylphenyl)pyrazolo[3,4-d]pyrimidine Openeye Name: 4-(1,4-diazepan-1-yl)-6-methyl-1-(m-tolyl)pyrazolo[3,4-d]pyrimidine CAS Name: 4-(1,4-diazepan-1-yl)-6-methyl-1-(3-methylphenyl)pyrazolo[3,4-d]pyrimidine IUPAC Name: 4-(1,4-diazepan-1-yl)-6-methyl-1-(3-methylphenyl)pyrazolo[3,4-d]pyrimidine Traditional Name: 4-(1,4-diazepan-1-yl)-6-methyl-1-(m-tolyl)pyrazolo[3,4-d]pyrimidine Formula: C18H22N6 MolecularWeight: 322.40748

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)N2C3=C(C=N2)C(=NC(=N3)C)N4CCCNCC4

Isomeric SMILES

CC1=CC(=CC=C1)N2C3=C(C=N2)C(=NC(=N3)C)N4CCCNCC4

InChI

InChI=1S/C18H22N6/c1-13-5-3-6-15(11-13)24-18-16(12-20-24)17(21-14(2)22-18)23-9-4-7-19-8-10-23/h3,5-6,11-12,19H,4,7-10H2,1-2H3