5-[(6-methoxy-1,3-benzothiazol-2-yl)diazenyl]pyrimidine-2,4,6-triamine

Systemtic Name: 5-[(6-methoxy-1,3-benzothiazol-2-yl)diazenyl]pyrimidine-2,4,6-triamine Openeye Name: 5-[(6-methoxy-1,3-benzothiazol-2-yl)azo]pyrimidine-2,4,6-triamine CAS Name: 5-[(6-methoxy-1,3-benzothiazol-2-yl)azo]pyrimidine-2,4,6-triamine IUPAC Name: 5-[(6-methoxy-1,3-benzothiazol-2-yl)diazenyl]pyrimidine-2,4,6-triamine Traditional Name: [2,6-diamino-5-[(6-methoxy-1,3-benzothiazol-2-yl)azo]pyrimidin-4-yl]amine Formula: C12H12N8OS MolecularWeight: 316.34168

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=CC2=C(C=C1)N=C(S2)N=NC3=C(N=C(N=C3N)N)N

Isomeric SMILES

COC1=CC2=C(C=C1)N=C(S2)N=NC3=C(N=C(N=C3N)N)N

InChI

InChI=1S/C12H12N8OS/c1-21-5-2-3-6-7(4-5)22-12(16-6)20-19-8-9(13)17-11(15)18-10(8)14/h2-4H,1H3,(H6,13,14,15,17,18)