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

Systemtic Name: 4-(1,4-diazepan-1-yl)-3,6-dimethyl-1-phenyl-pyrazolo[3,4-d]pyrimidine Openeye Name: 4-(1,4-diazepan-1-yl)-3,6-dimethyl-1-phenyl-pyrazolo[3,4-d]pyrimidine CAS Name: 4-(1,4-diazepan-1-yl)-3,6-dimethyl-1-phenylpyrazolo[3,4-d]pyrimidine IUPAC Name: 4-(1,4-diazepan-1-yl)-3,6-dimethyl-1-phenylpyrazolo[3,4-d]pyrimidine Traditional Name: 4-(1,4-diazepan-1-yl)-3,6-dimethyl-1-phenyl-pyrazolo[3,4-d]pyrimidine Formula: C18H22N6 MolecularWeight: 322.40748

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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