2-butylsulfanyl-4-oxidanyl-3-prop-2-enyl-1H-pyrimidin-3-ium-6-one

Systemtic Name: 2-butylsulfanyl-4-oxidanyl-3-prop-2-enyl-1H-pyrimidin-3-ium-6-one Openeye Name: 3-allyl-2-butylsulfanyl-4-hydroxy-1H-pyrimidin-3-ium-6-one CAS Name: 2-(butylthio)-4-hydroxy-3-prop-2-enyl-1H-pyrimidin-3-ium-6-one IUPAC Name: 2-butylsulfanyl-4-hydroxy-3-prop-2-enyl-1H-pyrimidin-3-ium-6-one Traditional Name: 3-allyl-2-(butylthio)-4-hydroxy-1H-pyrimidin-3-ium-6-one Formula: C11H17N2O2S+ MolecularWeight: 241.32988

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCSC1=[N+](C(=CC(=O)N1)O)CC=C

Isomeric SMILES

CCCCSC1=[N+](C(=CC(=O)N1)O)CC=C

InChI

InChI=1S/C11H16N2O2S/c1-3-5-7-16-11-12-9(14)8-10(15)13(11)6-4-2/h4,8H,2-3,5-7H2,1H3,(H,14,15)/p+1