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

Systemtic Name: 2-[(4-azanyl-6-phenylazanyl-1,3,5-triazin-2-yl)methylsulfanyl]-1-[(2S)-2-methylpiperidin-1-yl]ethanone Openeye Name: 2-[(4-amino-6-anilino-1,3,5-triazin-2-yl)methylsulfanyl]-1-[(2S)-2-methyl-1-piperidyl]ethanone CAS Name: 2-[(4-amino-6-anilino-1,3,5-triazin-2-yl)methylthio]-1-[(2S)-2-methyl-1-piperidinyl]ethanone IUPAC Name: 2-[(4-amino-6-anilino-1,3,5-triazin-2-yl)methylsulfanyl]-1-[(2S)-2-methylpiperidin-1-yl]ethanone Traditional Name: 2-[(4-amino-6-anilino-s-triazin-2-yl)methylthio]-1-[(2S)-2-methylpiperidino]ethanone Formula: C18H24N6OS MolecularWeight: 372.48776

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCCCN1C(=O)CSCC2=NC(=NC(=N2)NC3=CC=CC=C3)N

Isomeric SMILES

C[C@H]1CCCCN1C(=O)CSCC2=NC(=NC(=N2)NC3=CC=CC=C3)N

InChI

InChI=1S/C18H24N6OS/c1-13-7-5-6-10-24(13)16(25)12-26-11-15-21-17(19)23-18(22-15)20-14-8-3-2-4-9-14/h2-4,8-9,13H,5-7,10-12H2,1H3,(H3,19,20,21,22,23)/t13-/m0/s1