2-[(4-azanyl-6-phenylazanyl-1,3,5-triazin-2-yl)methylsulfanyl]-1-[(2S)-2-methyl-2,3-dihydroindol-1-yl]ethanone

Systemtic Name: 2-[(4-azanyl-6-phenylazanyl-1,3,5-triazin-2-yl)methylsulfanyl]-1-[(2S)-2-methyl-2,3-dihydroindol-1-yl]ethanone Openeye Name: 2-[(4-amino-6-anilino-1,3,5-triazin-2-yl)methylsulfanyl]-1-[(2S)-2-methylindolin-1-yl]ethanone CAS Name: 2-[(4-amino-6-anilino-1,3,5-triazin-2-yl)methylthio]-1-[(2S)-2-methyl-2,3-dihydroindol-1-yl]ethanone IUPAC Name: 2-[(4-amino-6-anilino-1,3,5-triazin-2-yl)methylsulfanyl]-1-[(2S)-2-methyl-2,3-dihydroindol-1-yl]ethanone Traditional Name: 2-[(4-amino-6-anilino-s-triazin-2-yl)methylthio]-1-[(2S)-2-methylindolin-1-yl]ethanone Formula: C21H22N6OS MolecularWeight: 406.50398

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Descriptors Computed from Structure

Canonical SMILES:

CC1CC2=CC=CC=C2N1C(=O)CSCC3=NC(=NC(=N3)NC4=CC=CC=C4)N

Isomeric SMILES

C[C@H]1CC2=CC=CC=C2N1C(=O)CSCC3=NC(=NC(=N3)NC4=CC=CC=C4)N

InChI

InChI=1S/C21H22N6OS/c1-14-11-15-7-5-6-10-17(15)27(14)19(28)13-29-12-18-24-20(22)26-21(25-18)23-16-8-3-2-4-9-16/h2-10,14H,11-13H2,1H3,(H3,22,23,24,25,26)/t14-/m0/s1