1-(2-chloranyl-2-phenyl-ethyl)-6-ethylsulfanyl-N-(phenylmethyl)pyrazolo[3,4-d]pyrimidin-4-amine

Systemtic Name: 1-(2-chloranyl-2-phenyl-ethyl)-6-ethylsulfanyl-N-(phenylmethyl)pyrazolo[3,4-d]pyrimidin-4-amine Openeye Name: N-benzyl-1-(2-chloro-2-phenyl-ethyl)-6-ethylsulfanyl-pyrazolo[3,4-d]pyrimidin-4-amine CAS Name: 1-(2-chloro-2-phenylethyl)-6-(ethylthio)-N-(phenylmethyl)-4-pyrazolo[3,4-d]pyrimidinamine IUPAC Name: N-benzyl-1-(2-chloro-2-phenylethyl)-6-ethylsulfanylpyrazolo[3,4-d]pyrimidin-4-amine Traditional Name: benzyl-[1-(2-chloro-2-phenyl-ethyl)-6-(ethylthio)pyrazolo[3,4-d]pyrimidin-4-yl]amine Formula: C22H22ClN5S MolecularWeight: 423.96158

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Descriptors Computed from Structure

Canonical SMILES:

CCSC1=NC2=C(C=NN2CC(C3=CC=CC=C3)Cl)C(=N1)NCC4=CC=CC=C4

Isomeric SMILES

CCSC1=NC2=C(C=NN2CC(C3=CC=CC=C3)Cl)C(=N1)NCC4=CC=CC=C4

InChI

InChI=1S/C22H22ClN5S/c1-2-29-22-26-20(24-13-16-9-5-3-6-10-16)18-14-25-28(21(18)27-22)15-19(23)17-11-7-4-8-12-17/h3-12,14,19H,2,13,15H2,1H3,(H,24,26,27)