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

Systemtic Name: 2-[[5-cyclopropyl-1-(5-methyl-4-thiophen-2-yl-pyrimidin-2-yl)pyrazol-4-yl]carbonylamino]ethyl-diethyl-azanium Openeye Name: 2-[[5-cyclopropyl-1-[5-methyl-4-(2-thienyl)pyrimidin-2-yl]pyrazole-4-carbonyl]amino]ethyl-diethyl-ammonium CAS Name: 2-[[[5-cyclopropyl-1-(5-methyl-4-thiophen-2-yl-2-pyrimidinyl)-4-pyrazolyl]-oxomethyl]amino]ethyl-diethylammonium IUPAC Name: 2-[[5-cyclopropyl-1-(5-methyl-4-thiophen-2-ylpyrimidin-2-yl)pyrazole-4-carbonyl]amino]ethyl-diethylazanium Traditional Name: 2-[[5-cyclopropyl-1-[5-methyl-4-(2-thienyl)pyrimidin-2-yl]pyrazole-4-carbonyl]amino]ethyl-diethyl-ammonium Formula: C22H29N6OS+ MolecularWeight: 425.57026

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H28N6OS/c1-4-27(5-2)11-10-23-21(29)17-14-25-28(20(17)16-8-9-16)22-24-13-15(3)19(26-22)18-7-6-12-30-18/h6-7,12-14,16H,4-5,8-11H2,1-3H3,(H,23,29)/p+1