[4-azanyl-6-(dimethylamino)-1,3,5-triazin-2-yl]methyl 2-phenyl-2-phenylsulfanyl-ethanoate

Systemtic Name: [4-azanyl-6-(dimethylamino)-1,3,5-triazin-2-yl]methyl 2-phenyl-2-phenylsulfanyl-ethanoate Openeye Name: [4-amino-6-(dimethylamino)-1,3,5-triazin-2-yl]methyl 2-phenyl-2-phenylsulfanyl-acetate CAS Name: 2-phenyl-2-(phenylthio)acetic acid [4-amino-6-(dimethylamino)-1,3,5-triazin-2-yl]methyl ester IUPAC Name: [4-amino-6-(dimethylamino)-1,3,5-triazin-2-yl]methyl 2-phenyl-2-phenylsulfanylacetate Traditional Name: 2-phenyl-2-(phenylthio)acetic acid [4-amino-6-(dimethylamino)-s-triazin-2-yl]methyl ester Formula: C20H21N5O2S MolecularWeight: 395.47804

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Descriptors Computed from Structure

Canonical SMILES:

CN(C)C1=NC(=NC(=N1)N)COC(=O)C(C2=CC=CC=C2)SC3=CC=CC=C3

Isomeric SMILES

CN(C)C1=NC(=NC(=N1)N)COC(=O)C(C2=CC=CC=C2)SC3=CC=CC=C3

InChI

InChI=1S/C20H21N5O2S/c1-25(2)20-23-16(22-19(21)24-20)13-27-18(26)17(14-9-5-3-6-10-14)28-15-11-7-4-8-12-15/h3-12,17H,13H2,1-2H3,(H2,21,22,23,24)