(4-cyclopentylpiperazin-4-ium-1-yl)-[5-cyclopropyl-1-[4-(5-methylfuran-2-yl)pyrimidin-2-yl]pyrazol-4-yl]methanone

Systemtic Name: (4-cyclopentylpiperazin-4-ium-1-yl)-[5-cyclopropyl-1-[4-(5-methylfuran-2-yl)pyrimidin-2-yl]pyrazol-4-yl]methanone Openeye Name: (4-cyclopentylpiperazin-4-ium-1-yl)-[5-cyclopropyl-1-[4-(5-methyl-2-furyl)pyrimidin-2-yl]pyrazol-4-yl]methanone CAS Name: (4-cyclopentyl-1-piperazin-4-iumyl)-[5-cyclopropyl-1-[4-(5-methyl-2-furanyl)-2-pyrimidinyl]-4-pyrazolyl]methanone IUPAC Name: (4-cyclopentylpiperazin-4-ium-1-yl)-[5-cyclopropyl-1-[4-(5-methylfuran-2-yl)pyrimidin-2-yl]pyrazol-4-yl]methanone Traditional Name: (4-cyclopentylpiperazin-4-ium-1-yl)-[5-cyclopropyl-1-[4-(5-methyl-2-furyl)pyrimidin-2-yl]pyrazol-4-yl]methanone Formula: C25H31N6O2+ MolecularWeight: 447.55264

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(O1)C2=NC(=NC=C2)N3C(=C(C=N3)C(=O)N4CC[NH+](CC4)C5CCCC5)C6CC6

Isomeric SMILES

CC1=CC=C(O1)C2=NC(=NC=C2)N3C(=C(C=N3)C(=O)N4CC[NH+](CC4)C5CCCC5)C6CC6

InChI

InChI=1S/C25H30N6O2/c1-17-6-9-22(33-17)21-10-11-26-25(28-21)31-23(18-7-8-18)20(16-27-31)24(32)30-14-12-29(13-15-30)19-4-2-3-5-19/h6,9-11,16,18-19H,2-5,7-8,12-15H2,1H3/p+1