1,3-dimethyl-7-[4-[(2-methylphenyl)methyl]piperazin-4-ium-1-yl]-5-propan-2-yl-pyrazolo[4,3-d]pyrimidine

Systemtic Name: 1,3-dimethyl-7-[4-[(2-methylphenyl)methyl]piperazin-4-ium-1-yl]-5-propan-2-yl-pyrazolo[4,3-d]pyrimidine Openeye Name: 5-isopropyl-1,3-dimethyl-7-[4-(o-tolylmethyl)piperazin-4-ium-1-yl]pyrazolo[4,3-d]pyrimidine CAS Name: 1,3-dimethyl-7-[4-[(2-methylphenyl)methyl]-1-piperazin-4-iumyl]-5-propan-2-ylpyrazolo[4,3-d]pyrimidine IUPAC Name: 1,3-dimethyl-7-[4-[(2-methylphenyl)methyl]piperazin-4-ium-1-yl]-5-propan-2-ylpyrazolo[4,3-d]pyrimidine Traditional Name: 5-isopropyl-1,3-dimethyl-7-[4-(2-methylbenzyl)piperazin-4-ium-1-yl]pyrazolo[4,3-d]pyrimidine Formula: C22H31N6+ MolecularWeight: 379.52174

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1C[NH+]2CCN(CC2)C3=NC(=NC4=C3N(N=C4C)C)C(C)C

Isomeric SMILES

CC1=CC=CC=C1C[NH+]2CCN(CC2)C3=NC(=NC4=C3N(N=C4C)C)C(C)C

InChI

InChI=1S/C22H30N6/c1-15(2)21-23-19-17(4)25-26(5)20(19)22(24-21)28-12-10-27(11-13-28)14-18-9-7-6-8-16(18)3/h6-9,15H,10-14H2,1-5H3/p+1