diethyl-[2-[[5-propan-2-yl-1-(4-thiophen-2-ylpyrimidin-2-yl)pyrazol-4-yl]carbonylamino]ethyl]azanium

Systemtic Name: diethyl-[2-[[5-propan-2-yl-1-(4-thiophen-2-ylpyrimidin-2-yl)pyrazol-4-yl]carbonylamino]ethyl]azanium Openeye Name: diethyl-[2-[[5-isopropyl-1-[4-(2-thienyl)pyrimidin-2-yl]pyrazole-4-carbonyl]amino]ethyl]ammonium CAS Name: diethyl-[2-[[oxo-[5-propan-2-yl-1-(4-thiophen-2-yl-2-pyrimidinyl)-4-pyrazolyl]methyl]amino]ethyl]ammonium IUPAC Name: diethyl-[2-[[5-propan-2-yl-1-(4-thiophen-2-ylpyrimidin-2-yl)pyrazole-4-carbonyl]amino]ethyl]azanium Traditional Name: diethyl-[2-[[5-isopropyl-1-[4-(2-thienyl)pyrimidin-2-yl]pyrazole-4-carbonyl]amino]ethyl]ammonium Formula: C21H29N6OS+ MolecularWeight: 413.55956

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H28N6OS/c1-5-26(6-2)12-11-22-20(28)16-14-24-27(19(16)15(3)4)21-23-10-9-17(25-21)18-8-7-13-29-18/h7-10,13-15H,5-6,11-12H2,1-4H3,(H,22,28)/p+1