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

Systemtic Name: N-butyl-1-(2-chloranyl-2-phenyl-ethyl)-6-ethylsulfanyl-pyrazolo[3,4-d]pyrimidin-4-amine Openeye Name: N-butyl-1-(2-chloro-2-phenyl-ethyl)-6-ethylsulfanyl-pyrazolo[3,4-d]pyrimidin-4-amine CAS Name: N-butyl-1-(2-chloro-2-phenylethyl)-6-(ethylthio)-4-pyrazolo[3,4-d]pyrimidinamine IUPAC Name: N-butyl-1-(2-chloro-2-phenylethyl)-6-ethylsulfanylpyrazolo[3,4-d]pyrimidin-4-amine Traditional Name: butyl-[1-(2-chloro-2-phenyl-ethyl)-6-(ethylthio)pyrazolo[3,4-d]pyrimidin-4-yl]amine Formula: C19H24ClN5S MolecularWeight: 389.94536

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Descriptors Computed from Structure

Canonical SMILES:

CCCCNC1=NC(=NC2=C1C=NN2CC(C3=CC=CC=C3)Cl)SCC

Isomeric SMILES

CCCCNC1=NC(=NC2=C1C=NN2CC(C3=CC=CC=C3)Cl)SCC

InChI

InChI=1S/C19H24ClN5S/c1-3-5-11-21-17-15-12-22-25(18(15)24-19(23-17)26-4-2)13-16(20)14-9-7-6-8-10-14/h6-10,12,16H,3-5,11,13H2,1-2H3,(H,21,23,24)