[3-[[5-cyclopropyl-1-(4-thiophen-2-ylpyrimidin-2-yl)pyrazol-4-yl]carbonylamino]-2,2-dimethyl-propyl]-dimethyl-azanium

Systemtic Name: [3-[[5-cyclopropyl-1-(4-thiophen-2-ylpyrimidin-2-yl)pyrazol-4-yl]carbonylamino]-2,2-dimethyl-propyl]-dimethyl-azanium Openeye Name: [3-[[5-cyclopropyl-1-[4-(2-thienyl)pyrimidin-2-yl]pyrazole-4-carbonyl]amino]-2,2-dimethyl-propyl]-dimethyl-ammonium CAS Name: [3-[[[5-cyclopropyl-1-(4-thiophen-2-yl-2-pyrimidinyl)-4-pyrazolyl]-oxomethyl]amino]-2,2-dimethylpropyl]-dimethylammonium IUPAC Name: [3-[[5-cyclopropyl-1-(4-thiophen-2-ylpyrimidin-2-yl)pyrazole-4-carbonyl]amino]-2,2-dimethylpropyl]-dimethylazanium Traditional Name: [3-[[5-cyclopropyl-1-[4-(2-thienyl)pyrimidin-2-yl]pyrazole-4-carbonyl]amino]-2,2-dimethyl-propyl]-dimethyl-ammonium Formula: C22H29N6OS+ MolecularWeight: 425.57026

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(CNC(=O)C1=C(N(N=C1)C2=NC=CC(=N2)C3=CC=CS3)C4CC4)C[NH+](C)C

Isomeric SMILES

CC(C)(CNC(=O)C1=C(N(N=C1)C2=NC=CC(=N2)C3=CC=CS3)C4CC4)C[NH+](C)C

InChI

InChI=1S/C22H28N6OS/c1-22(2,14-27(3)4)13-24-20(29)16-12-25-28(19(16)15-7-8-15)21-23-10-9-17(26-21)18-6-5-11-30-18/h5-6,9-12,15H,7-8,13-14H2,1-4H3,(H,24,29)/p+1