4-(1,4-diazepan-1-yl)-3-methyl-6-(2-methylpropyl)-1-phenyl-pyrazolo[3,4-d]pyrimidine

Systemtic Name: 4-(1,4-diazepan-1-yl)-3-methyl-6-(2-methylpropyl)-1-phenyl-pyrazolo[3,4-d]pyrimidine Openeye Name: 4-(1,4-diazepan-1-yl)-6-isobutyl-3-methyl-1-phenyl-pyrazolo[3,4-d]pyrimidine CAS Name: 4-(1,4-diazepan-1-yl)-3-methyl-6-(2-methylpropyl)-1-phenylpyrazolo[3,4-d]pyrimidine IUPAC Name: 4-(1,4-diazepan-1-yl)-3-methyl-6-(2-methylpropyl)-1-phenylpyrazolo[3,4-d]pyrimidine Traditional Name: 4-(1,4-diazepan-1-yl)-6-isobutyl-3-methyl-1-phenyl-pyrazolo[3,4-d]pyrimidine Formula: C21H28N6 MolecularWeight: 364.48722

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN(C2=C1C(=NC(=N2)CC(C)C)N3CCCNCC3)C4=CC=CC=C4

Isomeric SMILES

CC1=NN(C2=C1C(=NC(=N2)CC(C)C)N3CCCNCC3)C4=CC=CC=C4

InChI

InChI=1S/C21H28N6/c1-15(2)14-18-23-20(26-12-7-10-22-11-13-26)19-16(3)25-27(21(19)24-18)17-8-5-4-6-9-17/h4-6,8-9,15,22H,7,10-14H2,1-3H3