2-[3-[4-(6-methyl-2-propan-2-yl-pyrimidin-3-ium-4-yl)piperazin-1-yl]propanoylamino]thiophene-3-carboxamide

Systemtic Name: 2-[3-[4-(6-methyl-2-propan-2-yl-pyrimidin-3-ium-4-yl)piperazin-1-yl]propanoylamino]thiophene-3-carboxamide Openeye Name: 2-[3-[4-(2-isopropyl-6-methyl-pyrimidin-3-ium-4-yl)piperazin-1-yl]propanoylamino]thiophene-3-carboxamide CAS Name: 2-[[3-[4-(6-methyl-2-propan-2-yl-4-pyrimidin-3-iumyl)-1-piperazinyl]-1-oxopropyl]amino]-3-thiophenecarboxamide IUPAC Name: 2-[3-[4-(6-methyl-2-propan-2-ylpyrimidin-3-ium-4-yl)piperazin-1-yl]propanoylamino]thiophene-3-carboxamide Traditional Name: 2-[3-[4-(2-isopropyl-6-methyl-pyrimidin-3-ium-4-yl)piperazino]propanoylamino]thiophene-3-carboxamide Formula: C20H29N6O2S+ MolecularWeight: 417.54826

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=[NH+]C(=N1)C(C)C)N2CCN(CC2)CCC(=O)NC3=C(C=CS3)C(=O)N

Isomeric SMILES

CC1=CC(=[NH+]C(=N1)C(C)C)N2CCN(CC2)CCC(=O)NC3=C(C=CS3)C(=O)N

InChI

InChI=1S/C20H28N6O2S/c1-13(2)19-22-14(3)12-16(23-19)26-9-7-25(8-10-26)6-4-17(27)24-20-15(18(21)28)5-11-29-20/h5,11-13H,4,6-10H2,1-3H3,(H2,21,28)(H,24,27)/p+1