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

Systemtic Name: diethyl-[2-[methyl-[5-propan-2-yl-1-(4-thiophen-2-ylpyrimidin-2-yl)pyrazol-4-yl]carbonyl-amino]ethyl]azanium Openeye Name: diethyl-[2-[[5-isopropyl-1-[4-(2-thienyl)pyrimidin-2-yl]pyrazole-4-carbonyl]-methyl-amino]ethyl]ammonium CAS Name: diethyl-[2-[methyl-[oxo-[5-propan-2-yl-1-(4-thiophen-2-yl-2-pyrimidinyl)-4-pyrazolyl]methyl]amino]ethyl]ammonium IUPAC Name: diethyl-[2-[methyl-[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]-methyl-amino]ethyl]ammonium Formula: C22H31N6OS+ MolecularWeight: 427.58614

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H30N6OS/c1-6-27(7-2)13-12-26(5)21(29)17-15-24-28(20(17)16(3)4)22-23-11-10-18(25-22)19-9-8-14-30-19/h8-11,14-16H,6-7,12-13H2,1-5H3/p+1