5,6-bis(azanyl)-2-(1,3-benzothiazol-2-ylmethylsulfanyl)-1H-pyrimidin-4-one

Systemtic Name: 5,6-bis(azanyl)-2-(1,3-benzothiazol-2-ylmethylsulfanyl)-1H-pyrimidin-4-one Openeye Name: 5,6-diamino-2-(1,3-benzothiazol-2-ylmethylsulfanyl)-1H-pyrimidin-4-one CAS Name: 5,6-diamino-2-(1,3-benzothiazol-2-ylmethylthio)-1H-pyrimidin-4-one IUPAC Name: 5,6-diamino-2-(1,3-benzothiazol-2-ylmethylsulfanyl)-1H-pyrimidin-4-one Traditional Name: 5,6-diamino-2-(1,3-benzothiazol-2-ylmethylthio)-1H-pyrimidin-4-one Formula: C12H11N5OS2 MolecularWeight: 305.37864

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C12H11N5OS2/c13-9-10(14)16-12(17-11(9)18)19-5-8-15-6-3-1-2-4-7(6)20-8/h1-4H,5,13H2,(H3,14,16,17,18)