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

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

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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)COC

Isomeric SMILES

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

InChI

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