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

Systemtic Name: N2-(2-ethylphenyl)-6-[(2-methylquinazolin-4-yl)sulfanylmethyl]-1,3,5-triazine-2,4-diamine Openeye Name: N2-(2-ethylphenyl)-6-[(2-methylquinazolin-4-yl)sulfanylmethyl]-1,3,5-triazine-2,4-diamine CAS Name: N2-(2-ethylphenyl)-6-[[(2-methyl-4-quinazolinyl)thio]methyl]-1,3,5-triazine-2,4-diamine IUPAC Name: 2-N-(2-ethylphenyl)-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]-(2-ethylphenyl)amine Formula: C21H21N7S MolecularWeight: 403.50334

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=CC=C1NC2=NC(=NC(=N2)N)CSC3=NC(=NC4=CC=CC=C43)C

Isomeric SMILES

CCC1=CC=CC=C1NC2=NC(=NC(=N2)N)CSC3=NC(=NC4=CC=CC=C43)C

InChI

InChI=1S/C21H21N7S/c1-3-14-8-4-6-10-16(14)25-21-27-18(26-20(22)28-21)12-29-19-15-9-5-7-11-17(15)23-13(2)24-19/h4-11H,3,12H2,1-2H3,(H3,22,25,26,27,28)