(4-cyclopentylpiperazin-4-ium-1-yl)-[5-cyclopropyl-1-(4-thiophen-2-ylpyrimidin-2-yl)pyrazol-4-yl]methanone

Systemtic Name: (4-cyclopentylpiperazin-4-ium-1-yl)-[5-cyclopropyl-1-(4-thiophen-2-ylpyrimidin-2-yl)pyrazol-4-yl]methanone Openeye Name: (4-cyclopentylpiperazin-4-ium-1-yl)-[5-cyclopropyl-1-[4-(2-thienyl)pyrimidin-2-yl]pyrazol-4-yl]methanone CAS Name: (4-cyclopentyl-1-piperazin-4-iumyl)-[5-cyclopropyl-1-(4-thiophen-2-yl-2-pyrimidinyl)-4-pyrazolyl]methanone IUPAC Name: (4-cyclopentylpiperazin-4-ium-1-yl)-[5-cyclopropyl-1-(4-thiophen-2-ylpyrimidin-2-yl)pyrazol-4-yl]methanone Traditional Name: (4-cyclopentylpiperazin-4-ium-1-yl)-[5-cyclopropyl-1-[4-(2-thienyl)pyrimidin-2-yl]pyrazol-4-yl]methanone Formula: C24H29N6OS+ MolecularWeight: 449.59166

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(C1)[NH+]2CCN(CC2)C(=O)C3=C(N(N=C3)C4=NC=CC(=N4)C5=CC=CS5)C6CC6

Isomeric SMILES

C1CCC(C1)[NH+]2CCN(CC2)C(=O)C3=C(N(N=C3)C4=NC=CC(=N4)C5=CC=CS5)C6CC6

InChI

InChI=1S/C24H28N6OS/c31-23(29-13-11-28(12-14-29)18-4-1-2-5-18)19-16-26-30(22(19)17-7-8-17)24-25-10-9-20(27-24)21-6-3-15-32-21/h3,6,9-10,15-18H,1-2,4-5,7-8,11-14H2/p+1