[1-[4-(2,5-dimethoxyphenyl)pyrimidin-2-yl]-5-methyl-pyrazol-4-yl]-(4-methylpiperazin-4-ium-1-yl)methanone

Systemtic Name: [1-[4-(2,5-dimethoxyphenyl)pyrimidin-2-yl]-5-methyl-pyrazol-4-yl]-(4-methylpiperazin-4-ium-1-yl)methanone Openeye Name: [1-[4-(2,5-dimethoxyphenyl)pyrimidin-2-yl]-5-methyl-pyrazol-4-yl]-(4-methylpiperazin-4-ium-1-yl)methanone CAS Name: [1-[4-(2,5-dimethoxyphenyl)-2-pyrimidinyl]-5-methyl-4-pyrazolyl]-(4-methyl-1-piperazin-4-iumyl)methanone IUPAC Name: [1-[4-(2,5-dimethoxyphenyl)pyrimidin-2-yl]-5-methylpyrazol-4-yl]-(4-methylpiperazin-4-ium-1-yl)methanone Traditional Name: [1-[4-(2,5-dimethoxyphenyl)pyrimidin-2-yl]-5-methyl-pyrazol-4-yl]-(4-methylpiperazin-4-ium-1-yl)methanone Formula: C22H27N6O3+ MolecularWeight: 423.48818

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=NN1C2=NC=CC(=N2)C3=C(C=CC(=C3)OC)OC)C(=O)N4CC[NH+](CC4)C

Isomeric SMILES

CC1=C(C=NN1C2=NC=CC(=N2)C3=C(C=CC(=C3)OC)OC)C(=O)N4CC[NH+](CC4)C

InChI

InChI=1S/C22H26N6O3/c1-15-18(21(29)27-11-9-26(2)10-12-27)14-24-28(15)22-23-8-7-19(25-22)17-13-16(30-3)5-6-20(17)31-4/h5-8,13-14H,9-12H2,1-4H3/p+1