1-methyl-4-(4-phenethylpiperazin-4-ium-1-yl)pyrazolo[3,4-d]pyrimidine

Systemtic Name: 1-methyl-4-(4-phenethylpiperazin-4-ium-1-yl)pyrazolo[3,4-d]pyrimidine Openeye Name: 1-methyl-4-(4-phenethylpiperazin-4-ium-1-yl)pyrazolo[3,4-d]pyrimidine CAS Name: 1-methyl-4-(4-phenethyl-1-piperazin-4-iumyl)pyrazolo[3,4-d]pyrimidine IUPAC Name: 1-methyl-4-(4-phenethylpiperazin-4-ium-1-yl)pyrazolo[3,4-d]pyrimidine Traditional Name: 1-methyl-4-(4-phenethylpiperazin-4-ium-1-yl)pyrazolo[3,4-d]pyrimidine Formula: C18H23N6+ MolecularWeight: 323.41542

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C=N1)C(=NC=N2)N3CC[NH+](CC3)CCC4=CC=CC=C4

Isomeric SMILES

CN1C2=C(C=N1)C(=NC=N2)N3CC[NH+](CC3)CCC4=CC=CC=C4

InChI

InChI=1S/C18H22N6/c1-22-17-16(13-21-22)18(20-14-19-17)24-11-9-23(10-12-24)8-7-15-5-3-2-4-6-15/h2-6,13-14H,7-12H2,1H3/p+1