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

Systemtic Name: 2-[[5-cyclopropyl-1-(5-methyl-4-thiophen-2-yl-pyrimidin-2-yl)pyrazol-4-yl]carbonyl-ethyl-amino]ethyl-diethyl-azanium Openeye Name: 2-[[5-cyclopropyl-1-[5-methyl-4-(2-thienyl)pyrimidin-2-yl]pyrazole-4-carbonyl]-ethyl-amino]ethyl-diethyl-ammonium CAS Name: 2-[[[5-cyclopropyl-1-(5-methyl-4-thiophen-2-yl-2-pyrimidinyl)-4-pyrazolyl]-oxomethyl]-ethylamino]ethyl-diethylammonium IUPAC Name: 2-[[5-cyclopropyl-1-(5-methyl-4-thiophen-2-ylpyrimidin-2-yl)pyrazole-4-carbonyl]-ethylamino]ethyl-diethylazanium Traditional Name: 2-[[5-cyclopropyl-1-[5-methyl-4-(2-thienyl)pyrimidin-2-yl]pyrazole-4-carbonyl]-ethyl-amino]ethyl-diethyl-ammonium Formula: C24H33N6OS+ MolecularWeight: 453.62342

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C24H32N6OS/c1-5-28(6-2)12-13-29(7-3)23(31)19-16-26-30(22(19)18-10-11-18)24-25-15-17(4)21(27-24)20-9-8-14-32-20/h8-9,14-16,18H,5-7,10-13H2,1-4H3/p+1