N2-(2-methylphenyl)-6-[(2-methylquinazolin-4-yl)sulfanylmethyl]-1,3,5-triazine-2,4-diamine

Systemtic Name: N2-(2-methylphenyl)-6-[(2-methylquinazolin-4-yl)sulfanylmethyl]-1,3,5-triazine-2,4-diamine Openeye Name: 6-[(2-methylquinazolin-4-yl)sulfanylmethyl]-N2-(o-tolyl)-1,3,5-triazine-2,4-diamine CAS Name: N2-(2-methylphenyl)-6-[[(2-methyl-4-quinazolinyl)thio]methyl]-1,3,5-triazine-2,4-diamine IUPAC Name: 2-N-(2-methylphenyl)-6-[(2-methylquinazolin-4-yl)sulfanylmethyl]-1,3,5-triazine-2,4-diamine Traditional Name: [4-amino-6-[[(2-methylquinazolin-4-yl)thio]methyl]-s-triazin-2-yl]-(o-tolyl)amine Formula: C20H19N7S MolecularWeight: 389.47676

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1NC2=NC(=NC(=N2)N)CSC3=NC(=NC4=CC=CC=C43)C

Isomeric SMILES

CC1=CC=CC=C1NC2=NC(=NC(=N2)N)CSC3=NC(=NC4=CC=CC=C43)C

InChI

InChI=1S/C20H19N7S/c1-12-7-3-5-9-15(12)24-20-26-17(25-19(21)27-20)11-28-18-14-8-4-6-10-16(14)22-13(2)23-18/h3-10H,11H2,1-2H3,(H3,21,24,25,26,27)