1-[4-(2,5-dimethylthiophen-3-yl)pyrimidin-2-yl]-5-methyl-N-(2-methyl-2-morpholin-4-ium-4-yl-propyl)pyrazole-4-carboxamide

Systemtic Name: 1-[4-(2,5-dimethylthiophen-3-yl)pyrimidin-2-yl]-5-methyl-N-(2-methyl-2-morpholin-4-ium-4-yl-propyl)pyrazole-4-carboxamide Openeye Name: 1-[4-(2,5-dimethyl-3-thienyl)pyrimidin-2-yl]-5-methyl-N-(2-methyl-2-morpholin-4-ium-4-yl-propyl)pyrazole-4-carboxamide CAS Name: 1-[4-(2,5-dimethyl-3-thiophenyl)-2-pyrimidinyl]-5-methyl-N-[2-methyl-2-(4-morpholin-4-iumyl)propyl]-4-pyrazolecarboxamide IUPAC Name: 1-[4-(2,5-dimethylthiophen-3-yl)pyrimidin-2-yl]-5-methyl-N-(2-methyl-2-morpholin-4-ium-4-ylpropyl)pyrazole-4-carboxamide Traditional Name: 1-[4-(2,5-dimethyl-3-thienyl)pyrimidin-2-yl]-5-methyl-N-(2-methyl-2-morpholin-4-ium-4-yl-propyl)pyrazole-4-carboxamide Formula: C23H31N6O2S+ MolecularWeight: 455.59624

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(S1)C)C2=NC(=NC=C2)N3C(=C(C=N3)C(=O)NCC(C)(C)[NH+]4CCOCC4)C

Isomeric SMILES

CC1=CC(=C(S1)C)C2=NC(=NC=C2)N3C(=C(C=N3)C(=O)NCC(C)(C)[NH+]4CCOCC4)C

InChI

InChI=1S/C23H30N6O2S/c1-15-12-18(17(3)32-15)20-6-7-24-22(27-20)29-16(2)19(13-26-29)21(30)25-14-23(4,5)28-8-10-31-11-9-28/h6-7,12-13H,8-11,14H2,1-5H3,(H,25,30)/p+1