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

Systemtic Name: 2-[2-[(E)-but-2-enyl]-1-oxidanylidene-piperidin-1-ium-2-yl]sulfanyl-6-chloranyl-pyrimidin-4-amine Openeye Name: 2-[2-[(E)-but-2-enyl]-1-oxo-piperidin-1-ium-2-yl]sulfanyl-6-chloro-pyrimidin-4-amine CAS Name: 2-[[2-[(E)-but-2-enyl]-1-oxo-2-piperidin-1-iumyl]thio]-6-chloro-4-pyrimidinamine IUPAC Name: 2-[2-[(E)-but-2-enyl]-1-oxopiperidin-1-ium-2-yl]sulfanyl-6-chloropyrimidin-4-amine Traditional Name: [2-[[2-[(E)-but-2-enyl]-1-keto-piperidin-1-ium-2-yl]thio]-6-chloro-pyrimidin-4-yl]amine Formula: C13H18ClN4OS+ MolecularWeight: 313.82622

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H18ClN4OS/c1-2-3-6-13(7-4-5-8-18(13)19)20-12-16-10(14)9-11(15)17-12/h2-3,9H,4-8H2,1H3,(H2,15,16,17)/q+1/b3-2+