6-(3,4-dihydro-2H-1,5-benzothiazepin-5-ylmethyl)-N2-(2-methylphenyl)-1,3,5-triazine-2,4-diamine

Systemtic Name: 6-(3,4-dihydro-2H-1,5-benzothiazepin-5-ylmethyl)-N2-(2-methylphenyl)-1,3,5-triazine-2,4-diamine Openeye Name: 6-(3,4-dihydro-2H-1,5-benzothiazepin-5-ylmethyl)-N2-(o-tolyl)-1,3,5-triazine-2,4-diamine CAS Name: 6-(3,4-dihydro-2H-1,5-benzothiazepin-5-ylmethyl)-N2-(2-methylphenyl)-1,3,5-triazine-2,4-diamine IUPAC Name: 6-(3,4-dihydro-2H-1,5-benzothiazepin-5-ylmethyl)-2-N-(2-methylphenyl)-1,3,5-triazine-2,4-diamine Traditional Name: [4-amino-6-(3,4-dihydro-2H-1,5-benzothiazepin-5-ylmethyl)-s-triazin-2-yl]-(o-tolyl)amine Formula: C20H22N6S MolecularWeight: 378.49388

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1NC2=NC(=NC(=N2)N)CN3CCCSC4=CC=CC=C43

Isomeric SMILES

CC1=CC=CC=C1NC2=NC(=NC(=N2)N)CN3CCCSC4=CC=CC=C43

InChI

InChI=1S/C20H22N6S/c1-14-7-2-3-8-15(14)22-20-24-18(23-19(21)25-20)13-26-11-6-12-27-17-10-5-4-9-16(17)26/h2-5,7-10H,6,11-13H2,1H3,(H3,21,22,23,24,25)