5-[(2S)-1-[(2-butylsulfanylpyrimidin-5-yl)methyl]pyrrolidin-1-ium-2-yl]thiophene-2-carboxamide

Systemtic Name: 5-[(2S)-1-[(2-butylsulfanylpyrimidin-5-yl)methyl]pyrrolidin-1-ium-2-yl]thiophene-2-carboxamide Openeye Name: 5-[(2S)-1-[(2-butylsulfanylpyrimidin-5-yl)methyl]pyrrolidin-1-ium-2-yl]thiophene-2-carboxamide CAS Name: 5-[(2S)-1-[[2-(butylthio)-5-pyrimidinyl]methyl]-2-pyrrolidin-1-iumyl]-2-thiophenecarboxamide IUPAC Name: 5-[(2S)-1-[(2-butylsulfanylpyrimidin-5-yl)methyl]pyrrolidin-1-ium-2-yl]thiophene-2-carboxamide Traditional Name: 5-[(2S)-1-[[2-(butylthio)pyrimidin-5-yl]methyl]pyrrolidin-1-ium-2-yl]thiophene-2-carboxamide Formula: C18H25N4OS2+ MolecularWeight: 377.5473

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Descriptors Computed from Structure

Canonical SMILES:

CCCCSC1=NC=C(C=N1)C[NH+]2CCCC2C3=CC=C(S3)C(=O)N

Isomeric SMILES

CCCCSC1=NC=C(C=N1)C[NH+]2CCC[C@H]2C3=CC=C(S3)C(=O)N

InChI

InChI=1S/C18H24N4OS2/c1-2-3-9-24-18-20-10-13(11-21-18)12-22-8-4-5-14(22)15-6-7-16(25-15)17(19)23/h6-7,10-11,14H,2-5,8-9,12H2,1H3,(H2,19,23)/p+1/t14-/m0/s1