1-[3-[[4-azanyl-6-(dimethylamino)-1,3,5-triazin-2-yl]methylsulfanylmethyl]-4-methoxy-phenyl]ethanone

Systemtic Name: 1-[3-[[4-azanyl-6-(dimethylamino)-1,3,5-triazin-2-yl]methylsulfanylmethyl]-4-methoxy-phenyl]ethanone Openeye Name: 1-[3-[[4-amino-6-(dimethylamino)-1,3,5-triazin-2-yl]methylsulfanylmethyl]-4-methoxy-phenyl]ethanone CAS Name: 1-[3-[[[4-amino-6-(dimethylamino)-1,3,5-triazin-2-yl]methylthio]methyl]-4-methoxyphenyl]ethanone IUPAC Name: 1-[3-[[4-amino-6-(dimethylamino)-1,3,5-triazin-2-yl]methylsulfanylmethyl]-4-methoxyphenyl]ethanone Traditional Name: 1-[3-[[[4-amino-6-(dimethylamino)-s-triazin-2-yl]methylthio]methyl]-4-methoxy-phenyl]ethanone Formula: C16H21N5O2S MolecularWeight: 347.43524

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C1=CC(=C(C=C1)OC)CSCC2=NC(=NC(=N2)N(C)C)N

Isomeric SMILES

CC(=O)C1=CC(=C(C=C1)OC)CSCC2=NC(=NC(=N2)N(C)C)N

InChI

InChI=1S/C16H21N5O2S/c1-10(22)11-5-6-13(23-4)12(7-11)8-24-9-14-18-15(17)20-16(19-14)21(2)3/h5-7H,8-9H2,1-4H3,(H2,17,18,19,20)