6-azanyl-1-[2-[3,4-bis(oxidanyl)phenyl]ethyl]-2-sulfanylidene-pyrimidin-4-one

Systemtic Name: 6-azanyl-1-[2-[3,4-bis(oxidanyl)phenyl]ethyl]-2-sulfanylidene-pyrimidin-4-one Openeye Name: 6-amino-1-[2-(3,4-dihydroxyphenyl)ethyl]-2-thioxo-pyrimidin-4-one CAS Name: 6-amino-1-[2-(3,4-dihydroxyphenyl)ethyl]-2-sulfanylidene-4-pyrimidinone IUPAC Name: 6-amino-1-[2-(3,4-dihydroxyphenyl)ethyl]-2-sulfanylidenepyrimidin-4-one Traditional Name: 6-amino-1-[2-(3,4-dihydroxyphenyl)ethyl]-2-thioxo-pyrimidin-4-one Formula: C12H13N3O3S MolecularWeight: 279.31492

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=C(C=C1CCN2C(=CC(=O)NC2=S)N)O)O

Isomeric SMILES

C1=CC(=C(C=C1CCN2C(=CC(=O)NC2=S)N)O)O

InChI

InChI=1S/C12H13N3O3S/c13-10-6-11(18)14-12(19)15(10)4-3-7-1-2-8(16)9(17)5-7/h1-2,5-6,16-17H,3-4,13H2,(H,14,18,19)