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

Systemtic Name: [1-[4-(2,5-dimethoxyphenyl)pyrimidin-2-yl]-5-methyl-pyrazol-4-yl]-(4-ethylpiperazin-4-ium-1-yl)methanone Openeye Name: [1-[4-(2,5-dimethoxyphenyl)pyrimidin-2-yl]-5-methyl-pyrazol-4-yl]-(4-ethylpiperazin-4-ium-1-yl)methanone CAS Name: [1-[4-(2,5-dimethoxyphenyl)-2-pyrimidinyl]-5-methyl-4-pyrazolyl]-(4-ethyl-1-piperazin-4-iumyl)methanone IUPAC Name: [1-[4-(2,5-dimethoxyphenyl)pyrimidin-2-yl]-5-methylpyrazol-4-yl]-(4-ethylpiperazin-4-ium-1-yl)methanone Traditional Name: [1-[4-(2,5-dimethoxyphenyl)pyrimidin-2-yl]-5-methyl-pyrazol-4-yl]-(4-ethylpiperazin-4-ium-1-yl)methanone Formula: C23H29N6O3+ MolecularWeight: 437.51476

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Descriptors Computed from Structure

Canonical SMILES:

CC[NH+]1CCN(CC1)C(=O)C2=C(N(N=C2)C3=NC=CC(=N3)C4=C(C=CC(=C4)OC)OC)C

Isomeric SMILES

CC[NH+]1CCN(CC1)C(=O)C2=C(N(N=C2)C3=NC=CC(=N3)C4=C(C=CC(=C4)OC)OC)C

InChI

InChI=1S/C23H28N6O3/c1-5-27-10-12-28(13-11-27)22(30)19-15-25-29(16(19)2)23-24-9-8-20(26-23)18-14-17(31-3)6-7-21(18)32-4/h6-9,14-15H,5,10-13H2,1-4H3/p+1