2-[1-[4-azanyl-6-(dimethylamino)-1,3,5-triazin-2-yl]ethylsulfanyl]quinoline-4-carboxamide

Systemtic Name: 2-[1-[4-azanyl-6-(dimethylamino)-1,3,5-triazin-2-yl]ethylsulfanyl]quinoline-4-carboxamide Openeye Name: 2-[1-[4-amino-6-(dimethylamino)-1,3,5-triazin-2-yl]ethylsulfanyl]quinoline-4-carboxamide CAS Name: 2-[1-[4-amino-6-(dimethylamino)-1,3,5-triazin-2-yl]ethylthio]-4-quinolinecarboxamide IUPAC Name: 2-[1-[4-amino-6-(dimethylamino)-1,3,5-triazin-2-yl]ethylsulfanyl]quinoline-4-carboxamide Traditional Name: 2-[1-[4-amino-6-(dimethylamino)-s-triazin-2-yl]ethylthio]cinchoninamide Formula: C17H19N7OS MolecularWeight: 369.44406

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Descriptors Computed from Structure

Canonical SMILES:

CC(C1=NC(=NC(=N1)N(C)C)N)SC2=NC3=CC=CC=C3C(=C2)C(=O)N

Isomeric SMILES

CC(C1=NC(=NC(=N1)N(C)C)N)SC2=NC3=CC=CC=C3C(=C2)C(=O)N

InChI

InChI=1S/C17H19N7OS/c1-9(15-21-16(19)23-17(22-15)24(2)3)26-13-8-11(14(18)25)10-6-4-5-7-12(10)20-13/h4-9H,1-3H3,(H2,18,25)(H2,19,21,22,23)