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

Systemtic Name: 2-[[4-azanyl-6-(dimethylamino)-1,3,5-triazin-2-yl]methylsulfanyl]-N-cyclopropyl-quinoline-4-carboxamide Openeye Name: 2-[[4-amino-6-(dimethylamino)-1,3,5-triazin-2-yl]methylsulfanyl]-N-cyclopropyl-quinoline-4-carboxamide CAS Name: 2-[[4-amino-6-(dimethylamino)-1,3,5-triazin-2-yl]methylthio]-N-cyclopropyl-4-quinolinecarboxamide IUPAC Name: 2-[[4-amino-6-(dimethylamino)-1,3,5-triazin-2-yl]methylsulfanyl]-N-cyclopropylquinoline-4-carboxamide Traditional Name: 2-[[4-amino-6-(dimethylamino)-s-triazin-2-yl]methylthio]-N-cyclopropyl-cinchoninamide Formula: C19H21N7OS MolecularWeight: 395.48134

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Descriptors Computed from Structure

Canonical SMILES:

CN(C)C1=NC(=NC(=N1)N)CSC2=NC3=CC=CC=C3C(=C2)C(=O)NC4CC4

Isomeric SMILES

CN(C)C1=NC(=NC(=N1)N)CSC2=NC3=CC=CC=C3C(=C2)C(=O)NC4CC4

InChI

InChI=1S/C19H21N7OS/c1-26(2)19-24-15(23-18(20)25-19)10-28-16-9-13(17(27)21-11-7-8-11)12-5-3-4-6-14(12)22-16/h3-6,9,11H,7-8,10H2,1-2H3,(H,21,27)(H2,20,23,24,25)