6-methoxy-1,3-benzothiazole-2-carbonitrile; 6-(6-methoxy-1,3-benzothiazol-2-yl)-1,3,5-triazine-2,4-diamine

Systemtic Name: 6-methoxy-1,3-benzothiazole-2-carbonitrile; 6-(6-methoxy-1,3-benzothiazol-2-yl)-1,3,5-triazine-2,4-diamine Openeye Name: 6-methoxy-1,3-benzothiazole-2-carbonitrile; 6-(6-methoxy-1,3-benzothiazol-2-yl)-1,3,5-triazine-2,4-diamine CAS Name: 6-methoxy-1,3-benzothiazole-2-carbonitrile; 6-(6-methoxy-1,3-benzothiazol-2-yl)-1,3,5-triazine-2,4-diamine IUPAC Name: 6-methoxy-1,3-benzothiazole-2-carbonitrile; 6-(6-methoxy-1,3-benzothiazol-2-yl)-1,3,5-triazine-2,4-diamine Traditional Name: [4-amino-6-(6-methoxy-1,3-benzothiazol-2-yl)-s-triazin-2-yl]amine; 6-methoxy-1,3-benzothiazole-2-carbonitrile Formula: C20H16N8O2S2 MolecularWeight: 464.52344

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC2=C(C=C1)N=C(S2)C#N.COC1=CC2=C(C=C1)N=C(S2)C3=NC(=NC(=N3)N)N

Isomeric SMILES

COC1=CC2=C(C=C1)N=C(S2)C#N.COC1=CC2=C(C=C1)N=C(S2)C3=NC(=NC(=N3)N)N

InChI

InChI=1S/C11H10N6OS.C9H6N2OS/c1-18-5-2-3-6-7(4-5)19-9(14-6)8-15-10(12)17-11(13)16-8;1-12-6-2-3-7-8(4-6)13-9(5-10)11-7/h2-4H,1H3,(H4,12,13,15,16,17);2-4H,1H3