5-chloranyl-1-[(4-methyl-2-methylsulfanyl-pyrimidin-5-yl)methoxymethyl]pyrimidin-2-one

Systemtic Name: 5-chloranyl-1-[(4-methyl-2-methylsulfanyl-pyrimidin-5-yl)methoxymethyl]pyrimidin-2-one Openeye Name: 5-chloro-1-[(4-methyl-2-methylsulfanyl-pyrimidin-5-yl)methoxymethyl]pyrimidin-2-one CAS Name: 5-chloro-1-[[4-methyl-2-(methylthio)-5-pyrimidinyl]methoxymethyl]-2-pyrimidinone IUPAC Name: 5-chloro-1-[(4-methyl-2-methylsulfanylpyrimidin-5-yl)methoxymethyl]pyrimidin-2-one Traditional Name: 5-chloro-1-[[4-methyl-2-(methylthio)pyrimidin-5-yl]methoxymethyl]pyrimidin-2-one Formula: C12H13ClN4O2S MolecularWeight: 312.77522

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC(=NC=C1COCN2C=C(C=NC2=O)Cl)SC

Isomeric SMILES

CC1=NC(=NC=C1COCN2C=C(C=NC2=O)Cl)SC

InChI

InChI=1S/C12H13ClN4O2S/c1-8-9(3-14-11(16-8)20-2)6-19-7-17-5-10(13)4-15-12(17)18/h3-5H,6-7H2,1-2H3