N2-(2,3-dimethylphenyl)-6-[(5-methoxy-1,3-benzothiazol-2-yl)sulfanylmethyl]-1,3,5-triazine-2,4-diamine

Systemtic Name: N2-(2,3-dimethylphenyl)-6-[(5-methoxy-1,3-benzothiazol-2-yl)sulfanylmethyl]-1,3,5-triazine-2,4-diamine Openeye Name: N2-(2,3-dimethylphenyl)-6-[(5-methoxy-1,3-benzothiazol-2-yl)sulfanylmethyl]-1,3,5-triazine-2,4-diamine CAS Name: N2-(2,3-dimethylphenyl)-6-[[(5-methoxy-1,3-benzothiazol-2-yl)thio]methyl]-1,3,5-triazine-2,4-diamine IUPAC Name: 2-N-(2,3-dimethylphenyl)-6-[(5-methoxy-1,3-benzothiazol-2-yl)sulfanylmethyl]-1,3,5-triazine-2,4-diamine Traditional Name: [4-amino-6-[[(5-methoxy-1,3-benzothiazol-2-yl)thio]methyl]-s-triazin-2-yl]-(2,3-dimethylphenyl)amine Formula: C20H20N6OS2 MolecularWeight: 424.5424

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=CC=C1)NC2=NC(=NC(=N2)N)CSC3=NC4=C(S3)C=CC(=C4)OC)C

Isomeric SMILES

CC1=C(C(=CC=C1)NC2=NC(=NC(=N2)N)CSC3=NC4=C(S3)C=CC(=C4)OC)C

InChI

InChI=1S/C20H20N6OS2/c1-11-5-4-6-14(12(11)2)22-19-25-17(24-18(21)26-19)10-28-20-23-15-9-13(27-3)7-8-16(15)29-20/h4-9H,10H2,1-3H3,(H3,21,22,24,25,26)