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

Systemtic Name: 4-(azepan-1-yl)-1-[(4-chlorophenyl)methyl]pyrazolo[3,4-d]pyrimidine Openeye Name: 4-(azepan-1-yl)-1-[(4-chlorophenyl)methyl]pyrazolo[3,4-d]pyrimidine CAS Name: 4-(1-azepanyl)-1-[(4-chlorophenyl)methyl]pyrazolo[3,4-d]pyrimidine IUPAC Name: 4-(azepan-1-yl)-1-[(4-chlorophenyl)methyl]pyrazolo[3,4-d]pyrimidine Traditional Name: 4-(azepan-1-yl)-1-(4-chlorobenzyl)pyrazolo[3,4-d]pyrimidine Formula: C18H20ClN5 MolecularWeight: 341.8379

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCN(CC1)C2=NC=NC3=C2C=NN3CC4=CC=C(C=C4)Cl

Isomeric SMILES

C1CCCN(CC1)C2=NC=NC3=C2C=NN3CC4=CC=C(C=C4)Cl

InChI

InChI=1S/C18H20ClN5/c19-15-7-5-14(6-8-15)12-24-18-16(11-22-24)17(20-13-21-18)23-9-3-1-2-4-10-23/h5-8,11,13H,1-4,9-10,12H2