2-(1,3-benzothiazol-2-ylmethylsulfanyl)pyrimidine-4,6-diamine

Systemtic Name: 2-(1,3-benzothiazol-2-ylmethylsulfanyl)pyrimidine-4,6-diamine Openeye Name: 2-(1,3-benzothiazol-2-ylmethylsulfanyl)pyrimidine-4,6-diamine CAS Name: 2-(1,3-benzothiazol-2-ylmethylthio)pyrimidine-4,6-diamine IUPAC Name: 2-(1,3-benzothiazol-2-ylmethylsulfanyl)pyrimidine-4,6-diamine Traditional Name: [6-amino-2-(1,3-benzothiazol-2-ylmethylthio)pyrimidin-4-yl]amine Formula: C12H11N5S2 MolecularWeight: 289.37924

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C12H11N5S2/c13-9-5-10(14)17-12(16-9)18-6-11-15-7-3-1-2-4-8(7)19-11/h1-5H,6H2,(H4,13,14,16,17)