[5-cyclopropyl-1-[4-(2,5-dimethylthiophen-3-yl)pyrimidin-2-yl]pyrazol-4-yl]-(4-piperidin-1-ium-1-ylpiperidin-1-yl)methanone

Systemtic Name: [5-cyclopropyl-1-[4-(2,5-dimethylthiophen-3-yl)pyrimidin-2-yl]pyrazol-4-yl]-(4-piperidin-1-ium-1-ylpiperidin-1-yl)methanone Openeye Name: [5-cyclopropyl-1-[4-(2,5-dimethyl-3-thienyl)pyrimidin-2-yl]pyrazol-4-yl]-(4-piperidin-1-ium-1-yl-1-piperidyl)methanone CAS Name: [5-cyclopropyl-1-[4-(2,5-dimethyl-3-thiophenyl)-2-pyrimidinyl]-4-pyrazolyl]-[4-(1-piperidin-1-iumyl)-1-piperidinyl]methanone IUPAC Name: [5-cyclopropyl-1-[4-(2,5-dimethylthiophen-3-yl)pyrimidin-2-yl]pyrazol-4-yl]-(4-piperidin-1-ium-1-ylpiperidin-1-yl)methanone Traditional Name: [5-cyclopropyl-1-[4-(2,5-dimethyl-3-thienyl)pyrimidin-2-yl]pyrazol-4-yl]-(4-piperidin-1-ium-1-ylpiperidino)methanone Formula: C27H35N6OS+ MolecularWeight: 491.6714

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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)N4CCC(CC4)[NH+]5CCCCC5)C6CC6

Isomeric SMILES

CC1=CC(=C(S1)C)C2=NC(=NC=C2)N3C(=C(C=N3)C(=O)N4CCC(CC4)[NH+]5CCCCC5)C6CC6

InChI

InChI=1S/C27H34N6OS/c1-18-16-22(19(2)35-18)24-8-11-28-27(30-24)33-25(20-6-7-20)23(17-29-33)26(34)32-14-9-21(10-15-32)31-12-4-3-5-13-31/h8,11,16-17,20-21H,3-7,9-10,12-15H2,1-2H3/p+1