[1-[4-(2,5-dimethylthiophen-3-yl)pyrimidin-2-yl]-5-methyl-pyrazol-4-yl]-(4-propan-2-ylpiperazin-4-ium-1-yl)methanone

Systemtic Name: [1-[4-(2,5-dimethylthiophen-3-yl)pyrimidin-2-yl]-5-methyl-pyrazol-4-yl]-(4-propan-2-ylpiperazin-4-ium-1-yl)methanone Openeye Name: [1-[4-(2,5-dimethyl-3-thienyl)pyrimidin-2-yl]-5-methyl-pyrazol-4-yl]-(4-isopropylpiperazin-4-ium-1-yl)methanone CAS Name: [1-[4-(2,5-dimethyl-3-thiophenyl)-2-pyrimidinyl]-5-methyl-4-pyrazolyl]-(4-propan-2-yl-1-piperazin-4-iumyl)methanone IUPAC Name: [1-[4-(2,5-dimethylthiophen-3-yl)pyrimidin-2-yl]-5-methylpyrazol-4-yl]-(4-propan-2-ylpiperazin-4-ium-1-yl)methanone Traditional Name: [1-[4-(2,5-dimethyl-3-thienyl)pyrimidin-2-yl]-5-methyl-pyrazol-4-yl]-(4-isopropylpiperazin-4-ium-1-yl)methanone Formula: C22H29N6OS+ MolecularWeight: 425.57026

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(S1)C)C2=NC(=NC=C2)N3C(=C(C=N3)C(=O)N4CC[NH+](CC4)C(C)C)C

Isomeric SMILES

CC1=CC(=C(S1)C)C2=NC(=NC=C2)N3C(=C(C=N3)C(=O)N4CC[NH+](CC4)C(C)C)C

InChI

InChI=1S/C22H28N6OS/c1-14(2)26-8-10-27(11-9-26)21(29)19-13-24-28(16(19)4)22-23-7-6-20(25-22)18-12-15(3)30-17(18)5/h6-7,12-14H,8-11H2,1-5H3/p+1