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

Systemtic Name: 2-[1-[4-azanyl-6-(dimethylamino)-1,3,5-triazin-2-yl]ethylsulfanyl]-N-cyclopropyl-quinoline-4-carboxamide Openeye Name: 2-[1-[4-amino-6-(dimethylamino)-1,3,5-triazin-2-yl]ethylsulfanyl]-N-cyclopropyl-quinoline-4-carboxamide CAS Name: 2-[1-[4-amino-6-(dimethylamino)-1,3,5-triazin-2-yl]ethylthio]-N-cyclopropyl-4-quinolinecarboxamide IUPAC Name: 2-[1-[4-amino-6-(dimethylamino)-1,3,5-triazin-2-yl]ethylsulfanyl]-N-cyclopropylquinoline-4-carboxamide Traditional Name: 2-[1-[4-amino-6-(dimethylamino)-s-triazin-2-yl]ethylthio]-N-cyclopropyl-cinchoninamide Formula: C20H23N7OS MolecularWeight: 409.50792

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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)NC4CC4

Isomeric SMILES

CC(C1=NC(=NC(=N1)N(C)C)N)SC2=NC3=CC=CC=C3C(=C2)C(=O)NC4CC4

InChI

InChI=1S/C20H23N7OS/c1-11(17-24-19(21)26-20(25-17)27(2)3)29-16-10-14(18(28)22-12-8-9-12)13-6-4-5-7-15(13)23-16/h4-7,10-12H,8-9H2,1-3H3,(H,22,28)(H2,21,24,25,26)