2-[2-[(E)-but-2-enyl]-1-oxidanylidene-pyrrolidin-1-ium-2-yl]sulfanyl-6-chloranyl-pyrimidin-4-amine

Systemtic Name: 2-[2-[(E)-but-2-enyl]-1-oxidanylidene-pyrrolidin-1-ium-2-yl]sulfanyl-6-chloranyl-pyrimidin-4-amine Openeye Name: 2-[2-[(E)-but-2-enyl]-1-oxo-pyrrolidin-1-ium-2-yl]sulfanyl-6-chloro-pyrimidin-4-amine CAS Name: 2-[[2-[(E)-but-2-enyl]-1-oxo-2-pyrrolidin-1-iumyl]thio]-6-chloro-4-pyrimidinamine IUPAC Name: 2-[2-[(E)-but-2-enyl]-1-oxopyrrolidin-1-ium-2-yl]sulfanyl-6-chloropyrimidin-4-amine Traditional Name: [2-[[2-[(E)-but-2-enyl]-1-keto-pyrrolidin-1-ium-2-yl]thio]-6-chloro-pyrimidin-4-yl]amine Formula: C12H16ClN4OS+ MolecularWeight: 299.79964

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Descriptors Computed from Structure

Canonical SMILES:

CC=CCC1(CCC[N+]1=O)SC2=NC(=CC(=N2)Cl)N

Isomeric SMILES

C/C=C/CC1(CCC[N+]1=O)SC2=NC(=CC(=N2)Cl)N

InChI

InChI=1S/C12H16ClN4OS/c1-2-3-5-12(6-4-7-17(12)18)19-11-15-9(13)8-10(14)16-11/h2-3,8H,4-7H2,1H3,(H2,14,15,16)/q+1/b3-2+