2-(2-dimethylaminoethylsulfanyl)-5-heptyl-4-oxidanyl-1H-pyrimidin-6-one hydrochloride

Systemtic Name: 2-(2-dimethylaminoethylsulfanyl)-5-heptyl-4-oxidanyl-1H-pyrimidin-6-one hydrochloride Openeye Name: 2-(2-dimethylaminoethylsulfanyl)-5-heptyl-4-hydroxy-1H-pyrimidin-6-one hydrochloride CAS Name: 2-(2-dimethylaminoethylthio)-5-heptyl-4-hydroxy-1H-pyrimidin-6-one hydrochloride IUPAC Name: 2-(2-dimethylaminoethylsulfanyl)-5-heptyl-4-hydroxy-1H-pyrimidin-6-one hydrochloride Traditional Name: 2-(2-dimethylaminoethylthio)-5-heptyl-4-hydroxy-1H-pyrimidin-6-one hydrochloride Formula: C15H28ClN3O2S MolecularWeight: 349.91972

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCC1=C(N=C(NC1=O)SCCN(C)C)O.Cl

Isomeric SMILES

CCCCCCCC1=C(N=C(NC1=O)SCCN(C)C)O.Cl

InChI

InChI=1S/C15H27N3O2S.ClH/c1-4-5-6-7-8-9-12-13(19)16-15(17-14(12)20)21-11-10-18(2)3;/h4-11H2,1-3H3,(H2,16,17,19,20);1H