6-[[2-(4-bromophenyl)quinazolin-4-yl]sulfanylmethyl]-1,3,5-triazine-2,4-diamine

Systemtic Name: 6-[[2-(4-bromophenyl)quinazolin-4-yl]sulfanylmethyl]-1,3,5-triazine-2,4-diamine Openeye Name: 6-[[2-(4-bromophenyl)quinazolin-4-yl]sulfanylmethyl]-1,3,5-triazine-2,4-diamine CAS Name: 6-[[[2-(4-bromophenyl)-4-quinazolinyl]thio]methyl]-1,3,5-triazine-2,4-diamine IUPAC Name: 6-[[2-(4-bromophenyl)quinazolin-4-yl]sulfanylmethyl]-1,3,5-triazine-2,4-diamine Traditional Name: [4-amino-6-[[[2-(4-bromophenyl)quinazolin-4-yl]thio]methyl]-s-triazin-2-yl]amine Formula: C18H14BrN7S MolecularWeight: 440.31966

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C(=NC(=N2)C3=CC=C(C=C3)Br)SCC4=NC(=NC(=N4)N)N

Isomeric SMILES

C1=CC=C2C(=C1)C(=NC(=N2)C3=CC=C(C=C3)Br)SCC4=NC(=NC(=N4)N)N

InChI

InChI=1S/C18H14BrN7S/c19-11-7-5-10(6-8-11)15-22-13-4-2-1-3-12(13)16(25-15)27-9-14-23-17(20)26-18(21)24-14/h1-8H,9H2,(H4,20,21,23,24,26)