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

Systemtic Name: 1-(3-chlorophenyl)-4-(1,4-diazepan-1-yl)-6-ethyl-pyrazolo[3,4-d]pyrimidine Openeye Name: 1-(3-chlorophenyl)-4-(1,4-diazepan-1-yl)-6-ethyl-pyrazolo[3,4-d]pyrimidine CAS Name: 1-(3-chlorophenyl)-4-(1,4-diazepan-1-yl)-6-ethylpyrazolo[3,4-d]pyrimidine IUPAC Name: 1-(3-chlorophenyl)-4-(1,4-diazepan-1-yl)-6-ethylpyrazolo[3,4-d]pyrimidine Traditional Name: 1-(3-chlorophenyl)-4-(1,4-diazepan-1-yl)-6-ethyl-pyrazolo[3,4-d]pyrimidine Formula: C18H21ClN6 MolecularWeight: 356.85254

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=NC2=C(C=NN2C3=CC(=CC=C3)Cl)C(=N1)N4CCCNCC4

Isomeric SMILES

CCC1=NC2=C(C=NN2C3=CC(=CC=C3)Cl)C(=N1)N4CCCNCC4

InChI

InChI=1S/C18H21ClN6/c1-2-16-22-17(24-9-4-7-20-8-10-24)15-12-21-25(18(15)23-16)14-6-3-5-13(19)11-14/h3,5-6,11-12,20H,2,4,7-10H2,1H3