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

Systemtic Name: 4-(azepan-1-yl)-1-(3-chlorophenyl)pyrazolo[3,4-d]pyrimidine Openeye Name: 4-(azepan-1-yl)-1-(3-chlorophenyl)pyrazolo[3,4-d]pyrimidine CAS Name: 4-(1-azepanyl)-1-(3-chlorophenyl)pyrazolo[3,4-d]pyrimidine IUPAC Name: 4-(azepan-1-yl)-1-(3-chlorophenyl)pyrazolo[3,4-d]pyrimidine Traditional Name: 4-(azepan-1-yl)-1-(3-chlorophenyl)pyrazolo[3,4-d]pyrimidine Formula: C17H18ClN5 MolecularWeight: 327.81132

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCN(CC1)C2=NC=NC3=C2C=NN3C4=CC(=CC=C4)Cl

Isomeric SMILES

C1CCCN(CC1)C2=NC=NC3=C2C=NN3C4=CC(=CC=C4)Cl

InChI

InChI=1S/C17H18ClN5/c18-13-6-5-7-14(10-13)23-17-15(11-21-23)16(19-12-20-17)22-8-3-1-2-4-9-22/h5-7,10-12H,1-4,8-9H2