6-azanyl-3-methyl-5-[3-methyl-4,5-bis(oxidanyl)phenyl]-2-methylsulfanyl-pyrimidin-4-one

Systemtic Name: 6-azanyl-3-methyl-5-[3-methyl-4,5-bis(oxidanyl)phenyl]-2-methylsulfanyl-pyrimidin-4-one Openeye Name: 6-amino-5-(3,4-dihydroxy-5-methyl-phenyl)-3-methyl-2-methylsulfanyl-pyrimidin-4-one CAS Name: 6-amino-5-(3,4-dihydroxy-5-methylphenyl)-3-methyl-2-(methylthio)-4-pyrimidinone IUPAC Name: 6-amino-5-(3,4-dihydroxy-5-methylphenyl)-3-methyl-2-methylsulfanylpyrimidin-4-one Traditional Name: 6-amino-5-(3,4-dihydroxy-5-methyl-phenyl)-3-methyl-2-(methylthio)pyrimidin-4-one Formula: C13H15N3O3S MolecularWeight: 293.3415

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=CC(=C1)C2=C(N=C(N(C2=O)C)SC)N)O)O

Isomeric SMILES

CC1=C(C(=CC(=C1)C2=C(N=C(N(C2=O)C)SC)N)O)O

InChI

InChI=1S/C13H15N3O3S/c1-6-4-7(5-8(17)10(6)18)9-11(14)15-13(20-3)16(2)12(9)19/h4-5,17-18H,14H2,1-3H3