4-(azepan-1-yl)-1-(2-chloranyl-2-phenyl-ethyl)pyrazolo[3,4-d]pyrimidine

Systemtic Name: 4-(azepan-1-yl)-1-(2-chloranyl-2-phenyl-ethyl)pyrazolo[3,4-d]pyrimidine Openeye Name: 4-(azepan-1-yl)-1-(2-chloro-2-phenyl-ethyl)pyrazolo[3,4-d]pyrimidine CAS Name: 4-(1-azepanyl)-1-(2-chloro-2-phenylethyl)pyrazolo[3,4-d]pyrimidine IUPAC Name: 4-(azepan-1-yl)-1-(2-chloro-2-phenylethyl)pyrazolo[3,4-d]pyrimidine Traditional Name: 4-(azepan-1-yl)-1-(2-chloro-2-phenyl-ethyl)pyrazolo[3,4-d]pyrimidine Formula: C19H22ClN5 MolecularWeight: 355.86448

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCN(CC1)C2=NC=NC3=C2C=NN3CC(C4=CC=CC=C4)Cl

Isomeric SMILES

C1CCCN(CC1)C2=NC=NC3=C2C=NN3CC(C4=CC=CC=C4)Cl

InChI

InChI=1S/C19H22ClN5/c20-17(15-8-4-3-5-9-15)13-25-19-16(12-23-25)18(21-14-22-19)24-10-6-1-2-7-11-24/h3-5,8-9,12,14,17H,1-2,6-7,10-11,13H2