2-[[4-(5-cyclopropyl-2-phenyl-pyrazol-3-yl)carbonylpiperazin-1-ium-1-yl]methyl]-5,6-dimethyl-3H-thieno[2,3-d]pyrimidin-4-one

Systemtic Name: 2-[[4-(5-cyclopropyl-2-phenyl-pyrazol-3-yl)carbonylpiperazin-1-ium-1-yl]methyl]-5,6-dimethyl-3H-thieno[2,3-d]pyrimidin-4-one Openeye Name: 2-[[4-(5-cyclopropyl-2-phenyl-pyrazole-3-carbonyl)piperazin-1-ium-1-yl]methyl]-5,6-dimethyl-3H-thieno[2,3-d]pyrimidin-4-one CAS Name: 2-[[4-[(5-cyclopropyl-2-phenyl-3-pyrazolyl)-oxomethyl]-1-piperazin-1-iumyl]methyl]-5,6-dimethyl-3H-thieno[2,3-d]pyrimidin-4-one IUPAC Name: 2-[[4-(5-cyclopropyl-2-phenylpyrazole-3-carbonyl)piperazin-1-ium-1-yl]methyl]-5,6-dimethyl-3H-thieno[2,3-d]pyrimidin-4-one Traditional Name: 2-[[4-(5-cyclopropyl-2-phenyl-pyrazole-3-carbonyl)piperazin-1-ium-1-yl]methyl]-5,6-dimethyl-3H-thieno[2,3-d]pyrimidin-4-one Formula: C26H29N6O2S+ MolecularWeight: 489.61246

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC2=C1C(=O)NC(=N2)C[NH+]3CCN(CC3)C(=O)C4=CC(=NN4C5=CC=CC=C5)C6CC6)C

Isomeric SMILES

CC1=C(SC2=C1C(=O)NC(=N2)C[NH+]3CCN(CC3)C(=O)C4=CC(=NN4C5=CC=CC=C5)C6CC6)C

InChI

InChI=1S/C26H28N6O2S/c1-16-17(2)35-25-23(16)24(33)27-22(28-25)15-30-10-12-31(13-11-30)26(34)21-14-20(18-8-9-18)29-32(21)19-6-4-3-5-7-19/h3-7,14,18H,8-13,15H2,1-2H3,(H,27,28,33)/p+1