1-(3-chlorophenyl)-4-(2-pyrrolidin-1-ium-1-ylethylsulfanyl)pyrazolo[3,4-d]pyrimidine

Systemtic Name: 1-(3-chlorophenyl)-4-(2-pyrrolidin-1-ium-1-ylethylsulfanyl)pyrazolo[3,4-d]pyrimidine Openeye Name: 1-(3-chlorophenyl)-4-(2-pyrrolidin-1-ium-1-ylethylsulfanyl)pyrazolo[3,4-d]pyrimidine CAS Name: 1-(3-chlorophenyl)-4-[2-(1-pyrrolidin-1-iumyl)ethylthio]pyrazolo[3,4-d]pyrimidine IUPAC Name: 1-(3-chlorophenyl)-4-(2-pyrrolidin-1-ium-1-ylethylsulfanyl)pyrazolo[3,4-d]pyrimidine Traditional Name: 1-(3-chlorophenyl)-4-(2-pyrrolidin-1-ium-1-ylethylthio)pyrazolo[3,4-d]pyrimidine Formula: C17H19ClN5S+ MolecularWeight: 360.88426

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Descriptors Computed from Structure

Canonical SMILES:

C1CC[NH+](C1)CCSC2=NC=NC3=C2C=NN3C4=CC(=CC=C4)Cl

Isomeric SMILES

C1CC[NH+](C1)CCSC2=NC=NC3=C2C=NN3C4=CC(=CC=C4)Cl

InChI

InChI=1S/C17H18ClN5S/c18-13-4-3-5-14(10-13)23-16-15(11-21-23)17(20-12-19-16)24-9-8-22-6-1-2-7-22/h3-5,10-12H,1-2,6-9H2/p+1