6-[(7-methoxy-4-phenyl-quinolin-2-yl)sulfanylmethyl]-1,3,5-triazine-2,4-diamine

Systemtic Name: 6-[(7-methoxy-4-phenyl-quinolin-2-yl)sulfanylmethyl]-1,3,5-triazine-2,4-diamine Openeye Name: 6-[(7-methoxy-4-phenyl-2-quinolyl)sulfanylmethyl]-1,3,5-triazine-2,4-diamine CAS Name: 6-[[(7-methoxy-4-phenyl-2-quinolinyl)thio]methyl]-1,3,5-triazine-2,4-diamine IUPAC Name: 6-[(7-methoxy-4-phenylquinolin-2-yl)sulfanylmethyl]-1,3,5-triazine-2,4-diamine Traditional Name: [4-amino-6-[[(7-methoxy-4-phenyl-2-quinolyl)thio]methyl]-s-triazin-2-yl]amine Formula: C20H18N6OS MolecularWeight: 390.46152

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC2=C(C=C1)C(=CC(=N2)SCC3=NC(=NC(=N3)N)N)C4=CC=CC=C4

Isomeric SMILES

COC1=CC2=C(C=C1)C(=CC(=N2)SCC3=NC(=NC(=N3)N)N)C4=CC=CC=C4

InChI

InChI=1S/C20H18N6OS/c1-27-13-7-8-14-15(12-5-3-2-4-6-12)10-18(23-16(14)9-13)28-11-17-24-19(21)26-20(22)25-17/h2-10H,11H2,1H3,(H4,21,22,24,25,26)