tert-butyl 4-[[5-(hydroxymethyl)-6-methyl-2-methylsulfanyl-pyrimidin-4-yl]amino]benzoate

Systemtic Name: tert-butyl 4-[[5-(hydroxymethyl)-6-methyl-2-methylsulfanyl-pyrimidin-4-yl]amino]benzoate Openeye Name: tert-butyl 4-[[5-(hydroxymethyl)-6-methyl-2-methylsulfanyl-pyrimidin-4-yl]amino]benzoate CAS Name: 4-[[5-(hydroxymethyl)-6-methyl-2-(methylthio)-4-pyrimidinyl]amino]benzoic acid tert-butyl ester IUPAC Name: tert-butyl 4-[[5-(hydroxymethyl)-6-methyl-2-methylsulfanylpyrimidin-4-yl]amino]benzoate Traditional Name: 4-[[6-methyl-5-methylol-2-(methylthio)pyrimidin-4-yl]amino]benzoic acid tert-butyl ester Formula: C18H23N3O3S MolecularWeight: 361.45852

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NC(=N1)SC)NC2=CC=C(C=C2)C(=O)OC(C)(C)C)CO

Isomeric SMILES

CC1=C(C(=NC(=N1)SC)NC2=CC=C(C=C2)C(=O)OC(C)(C)C)CO

InChI

InChI=1S/C18H23N3O3S/c1-11-14(10-22)15(21-17(19-11)25-5)20-13-8-6-12(7-9-13)16(23)24-18(2,3)4/h6-9,22H,10H2,1-5H3,(H,19,20,21)