6-[4-(1H-benzimidazol-4-yl)-6-methylsulfanyl-1,3,5-triazin-2-yl]-2-methyl-quinolin-4-amine

Systemtic Name: 6-[4-(1H-benzimidazol-4-yl)-6-methylsulfanyl-1,3,5-triazin-2-yl]-2-methyl-quinolin-4-amine Openeye Name: 6-[4-(1H-benzimidazol-4-yl)-6-methylsulfanyl-1,3,5-triazin-2-yl]-2-methyl-quinolin-4-amine CAS Name: 6-[4-(1H-benzimidazol-4-yl)-6-(methylthio)-1,3,5-triazin-2-yl]-2-methyl-4-quinolinamine IUPAC Name: 6-[4-(1H-benzimidazol-4-yl)-6-methylsulfanyl-1,3,5-triazin-2-yl]-2-methylquinolin-4-amine Traditional Name: [6-[4-(1H-benzimidazol-4-yl)-6-(methylthio)-s-triazin-2-yl]-2-methyl-4-quinolyl]amine Formula: C21H17N7S MolecularWeight: 399.47158

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC2=C(C=C(C=C2)C3=NC(=NC(=N3)SC)C4=C5C(=CC=C4)NC=N5)C(=C1)N

Isomeric SMILES

CC1=NC2=C(C=C(C=C2)C3=NC(=NC(=N3)SC)C4=C5C(=CC=C4)NC=N5)C(=C1)N

InChI

InChI=1S/C21H17N7S/c1-11-8-15(22)14-9-12(6-7-16(14)25-11)19-26-20(28-21(27-19)29-2)13-4-3-5-17-18(13)24-10-23-17/h3-10H,1-2H3,(H2,22,25)(H,23,24)