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

Systemtic Name: diethyl-[2-[[5-(methoxymethyl)-1-(5-methyl-4-thiophen-2-yl-pyrimidin-2-yl)pyrazol-4-yl]carbonyl-methyl-amino]ethyl]azanium Openeye Name: diethyl-[2-[[5-(methoxymethyl)-1-[5-methyl-4-(2-thienyl)pyrimidin-2-yl]pyrazole-4-carbonyl]-methyl-amino]ethyl]ammonium CAS Name: diethyl-[2-[[[5-(methoxymethyl)-1-(5-methyl-4-thiophen-2-yl-2-pyrimidinyl)-4-pyrazolyl]-oxomethyl]-methylamino]ethyl]ammonium IUPAC Name: diethyl-[2-[[5-(methoxymethyl)-1-(5-methyl-4-thiophen-2-ylpyrimidin-2-yl)pyrazole-4-carbonyl]-methylamino]ethyl]azanium Traditional Name: diethyl-[2-[[5-(methoxymethyl)-1-[5-methyl-4-(2-thienyl)pyrimidin-2-yl]pyrazole-4-carbonyl]-methyl-amino]ethyl]ammonium Formula: C22H31N6O2S+ MolecularWeight: 443.58554

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H30N6O2S/c1-6-27(7-2)11-10-26(4)21(29)17-14-24-28(18(17)15-30-5)22-23-13-16(3)20(25-22)19-9-8-12-31-19/h8-9,12-14H,6-7,10-11,15H2,1-5H3/p+1