6-azanyl-2-[(2-sulfanylidene-1,3-benzothiazol-3-yl)methylsulfanyl]-1H-pyrimidin-4-one

Systemtic Name: 6-azanyl-2-[(2-sulfanylidene-1,3-benzothiazol-3-yl)methylsulfanyl]-1H-pyrimidin-4-one Openeye Name: 6-amino-2-[(2-thioxo-1,3-benzothiazol-3-yl)methylsulfanyl]-1H-pyrimidin-4-one CAS Name: 6-amino-2-[(2-sulfanylidene-1,3-benzothiazol-3-yl)methylthio]-1H-pyrimidin-4-one IUPAC Name: 6-amino-2-[(2-sulfanylidene-1,3-benzothiazol-3-yl)methylsulfanyl]-1H-pyrimidin-4-one Traditional Name: 6-amino-2-[(2-thioxo-1,3-benzothiazol-3-yl)methylthio]-1H-pyrimidin-4-one Formula: C12H10N4OS3 MolecularWeight: 322.429

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)N(C(=S)S2)CSC3=NC(=O)C=C(N3)N

Isomeric SMILES

C1=CC=C2C(=C1)N(C(=S)S2)CSC3=NC(=O)C=C(N3)N

InChI

InChI=1S/C12H10N4OS3/c13-9-5-10(17)15-11(14-9)19-6-16-7-3-1-2-4-8(7)20-12(16)18/h1-5H,6H2,(H3,13,14,15,17)