1-(3-chloranyl-4-methyl-phenyl)-4-(4-ethylpiperazin-4-ium-1-yl)pyrazolo[3,4-d]pyrimidine

Systemtic Name: 1-(3-chloranyl-4-methyl-phenyl)-4-(4-ethylpiperazin-4-ium-1-yl)pyrazolo[3,4-d]pyrimidine Openeye Name: 1-(3-chloro-4-methyl-phenyl)-4-(4-ethylpiperazin-4-ium-1-yl)pyrazolo[3,4-d]pyrimidine CAS Name: 1-(3-chloro-4-methylphenyl)-4-(4-ethyl-1-piperazin-4-iumyl)pyrazolo[3,4-d]pyrimidine IUPAC Name: 1-(3-chloro-4-methylphenyl)-4-(4-ethylpiperazin-4-ium-1-yl)pyrazolo[3,4-d]pyrimidine Traditional Name: 1-(3-chloro-4-methyl-phenyl)-4-(4-ethylpiperazin-4-ium-1-yl)pyrazolo[3,4-d]pyrimidine Formula: C18H22ClN6+ MolecularWeight: 357.86048

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Descriptors Computed from Structure

Canonical SMILES:

CC[NH+]1CCN(CC1)C2=NC=NC3=C2C=NN3C4=CC(=C(C=C4)C)Cl

Isomeric SMILES

CC[NH+]1CCN(CC1)C2=NC=NC3=C2C=NN3C4=CC(=C(C=C4)C)Cl

InChI

InChI=1S/C18H21ClN6/c1-3-23-6-8-24(9-7-23)17-15-11-22-25(18(15)21-12-20-17)14-5-4-13(2)16(19)10-14/h4-5,10-12H,3,6-9H2,1-2H3/p+1