2-[[4-azanyl-6-[(2-methylphenyl)amino]-1,3,5-triazin-2-yl]methylsulfanyl]-1-pyrrolidin-1-yl-ethanone

Systemtic Name: 2-[[4-azanyl-6-[(2-methylphenyl)amino]-1,3,5-triazin-2-yl]methylsulfanyl]-1-pyrrolidin-1-yl-ethanone Openeye Name: 2-[[4-amino-6-(2-methylanilino)-1,3,5-triazin-2-yl]methylsulfanyl]-1-pyrrolidin-1-yl-ethanone CAS Name: 2-[[4-amino-6-(2-methylanilino)-1,3,5-triazin-2-yl]methylthio]-1-(1-pyrrolidinyl)ethanone IUPAC Name: 2-[[4-amino-6-(2-methylanilino)-1,3,5-triazin-2-yl]methylsulfanyl]-1-pyrrolidin-1-ylethanone Traditional Name: 2-[[4-amino-6-(o-toluidino)-s-triazin-2-yl]methylthio]-1-pyrrolidino-ethanone Formula: C17H22N6OS MolecularWeight: 358.46118

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1NC2=NC(=NC(=N2)N)CSCC(=O)N3CCCC3

Isomeric SMILES

CC1=CC=CC=C1NC2=NC(=NC(=N2)N)CSCC(=O)N3CCCC3

InChI

InChI=1S/C17H22N6OS/c1-12-6-2-3-7-13(12)19-17-21-14(20-16(18)22-17)10-25-11-15(24)23-8-4-5-9-23/h2-3,6-7H,4-5,8-11H2,1H3,(H3,18,19,20,21,22)