3-bromanyl-4-chloranyl-1-[1-(phenylmethyl)piperidin-4-yl]pyrazolo[3,4-d]pyrimidine

Systemtic Name: 3-bromanyl-4-chloranyl-1-[1-(phenylmethyl)piperidin-4-yl]pyrazolo[3,4-d]pyrimidine Openeye Name: 1-(1-benzyl-4-piperidyl)-3-bromo-4-chloro-pyrazolo[3,4-d]pyrimidine CAS Name: 3-bromo-4-chloro-1-[1-(phenylmethyl)-4-piperidinyl]pyrazolo[3,4-d]pyrimidine IUPAC Name: 1-(1-benzylpiperidin-4-yl)-3-bromo-4-chloropyrazolo[3,4-d]pyrimidine Traditional Name: 1-(1-benzyl-4-piperidyl)-3-bromo-4-chloro-pyrazolo[3,4-d]pyrimidine Formula: C17H17BrClN5 MolecularWeight: 406.70738

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1N2C3=C(C(=NC=N3)Cl)C(=N2)Br)CC4=CC=CC=C4

Isomeric SMILES

C1CN(CCC1N2C3=C(C(=NC=N3)Cl)C(=N2)Br)CC4=CC=CC=C4

InChI

InChI=1S/C17H17BrClN5/c18-15-14-16(19)20-11-21-17(14)24(22-15)13-6-8-23(9-7-13)10-12-4-2-1-3-5-12/h1-5,11,13H,6-10H2