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

Systemtic Name: 1-(3-chlorophenyl)-4-(1,4-diazepan-1-yl)-6-methyl-pyrazolo[3,4-d]pyrimidine Openeye Name: 1-(3-chlorophenyl)-4-(1,4-diazepan-1-yl)-6-methyl-pyrazolo[3,4-d]pyrimidine CAS Name: 1-(3-chlorophenyl)-4-(1,4-diazepan-1-yl)-6-methylpyrazolo[3,4-d]pyrimidine IUPAC Name: 1-(3-chlorophenyl)-4-(1,4-diazepan-1-yl)-6-methylpyrazolo[3,4-d]pyrimidine Traditional Name: 1-(3-chlorophenyl)-4-(1,4-diazepan-1-yl)-6-methyl-pyrazolo[3,4-d]pyrimidine Formula: C17H19ClN6 MolecularWeight: 342.82596

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC2=C(C=NN2C3=CC(=CC=C3)Cl)C(=N1)N4CCCNCC4

Isomeric SMILES

CC1=NC2=C(C=NN2C3=CC(=CC=C3)Cl)C(=N1)N4CCCNCC4

InChI

InChI=1S/C17H19ClN6/c1-12-21-16(23-8-3-6-19-7-9-23)15-11-20-24(17(15)22-12)14-5-2-4-13(18)10-14/h2,4-5,10-11,19H,3,6-9H2,1H3