2-[(3-azanyl-4-oxidanyl-phenyl)methylsulfanyl]-6-methyl-1H-pyrimidin-4-one

Systemtic Name: 2-[(3-azanyl-4-oxidanyl-phenyl)methylsulfanyl]-6-methyl-1H-pyrimidin-4-one Openeye Name: 2-[(3-amino-4-hydroxy-phenyl)methylsulfanyl]-6-methyl-1H-pyrimidin-4-one CAS Name: 2-[(3-amino-4-hydroxyphenyl)methylthio]-6-methyl-1H-pyrimidin-4-one IUPAC Name: 2-[(3-amino-4-hydroxyphenyl)methylsulfanyl]-6-methyl-1H-pyrimidin-4-one Traditional Name: 2-[(3-amino-4-hydroxy-benzyl)thio]-6-methyl-1H-pyrimidin-4-one Formula: C12H13N3O2S MolecularWeight: 263.31552

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=O)N=C(N1)SCC2=CC(=C(C=C2)O)N

Isomeric SMILES

CC1=CC(=O)N=C(N1)SCC2=CC(=C(C=C2)O)N

InChI

InChI=1S/C12H13N3O2S/c1-7-4-11(17)15-12(14-7)18-6-8-2-3-10(16)9(13)5-8/h2-5,16H,6,13H2,1H3,(H,14,15,17)