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

Systemtic Name: [5-cyclopropyl-1-[4-(5-methylfuran-2-yl)pyrimidin-2-yl]pyrazol-4-yl]-(4-methylpiperazin-4-ium-1-yl)methanone Openeye Name: [5-cyclopropyl-1-[4-(5-methyl-2-furyl)pyrimidin-2-yl]pyrazol-4-yl]-(4-methylpiperazin-4-ium-1-yl)methanone CAS Name: [5-cyclopropyl-1-[4-(5-methyl-2-furanyl)-2-pyrimidinyl]-4-pyrazolyl]-(4-methyl-1-piperazin-4-iumyl)methanone IUPAC Name: [5-cyclopropyl-1-[4-(5-methylfuran-2-yl)pyrimidin-2-yl]pyrazol-4-yl]-(4-methylpiperazin-4-ium-1-yl)methanone Traditional Name: [5-cyclopropyl-1-[4-(5-methyl-2-furyl)pyrimidin-2-yl]pyrazol-4-yl]-(4-methylpiperazin-4-ium-1-yl)methanone Formula: C21H25N6O2+ MolecularWeight: 393.4622

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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)C)C5CC5

Isomeric SMILES

CC1=CC=C(O1)C2=NC(=NC=C2)N3C(=C(C=N3)C(=O)N4CC[NH+](CC4)C)C5CC5

InChI

InChI=1S/C21H24N6O2/c1-14-3-6-18(29-14)17-7-8-22-21(24-17)27-19(15-4-5-15)16(13-23-27)20(28)26-11-9-25(2)10-12-26/h3,6-8,13,15H,4-5,9-12H2,1-2H3/p+1