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

Systemtic Name: diethyl-[2-[[5-(methoxymethyl)-1-(5-methyl-4-thiophen-2-yl-pyrimidin-2-yl)pyrazol-4-yl]carbonylamino]ethyl]azanium Openeye Name: diethyl-[2-[[5-(methoxymethyl)-1-[5-methyl-4-(2-thienyl)pyrimidin-2-yl]pyrazole-4-carbonyl]amino]ethyl]ammonium CAS Name: diethyl-[2-[[[5-(methoxymethyl)-1-(5-methyl-4-thiophen-2-yl-2-pyrimidinyl)-4-pyrazolyl]-oxomethyl]amino]ethyl]ammonium IUPAC Name: diethyl-[2-[[5-(methoxymethyl)-1-(5-methyl-4-thiophen-2-ylpyrimidin-2-yl)pyrazole-4-carbonyl]amino]ethyl]azanium Traditional Name: diethyl-[2-[[5-(methoxymethyl)-1-[5-methyl-4-(2-thienyl)pyrimidin-2-yl]pyrazole-4-carbonyl]amino]ethyl]ammonium Formula: C21H29N6O2S+ MolecularWeight: 429.55896

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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)COC

Isomeric SMILES

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

InChI

InChI=1S/C21H28N6O2S/c1-5-26(6-2)10-9-22-20(28)16-13-24-27(17(16)14-29-4)21-23-12-15(3)19(25-21)18-8-7-11-30-18/h7-8,11-13H,5-6,9-10,14H2,1-4H3,(H,22,28)/p+1