methyl [3-[[6-methyl-2-(phenylmethylsulfanyl)pyrimidin-4-yl]amino]phenyl] carbonate

Systemtic Name: methyl [3-[[6-methyl-2-(phenylmethylsulfanyl)pyrimidin-4-yl]amino]phenyl] carbonate Openeye Name: [3-[(2-benzylsulfanyl-6-methyl-pyrimidin-4-yl)amino]phenyl] methyl carbonate CAS Name: carbonic acid methyl [3-[[6-methyl-2-(phenylmethylthio)-4-pyrimidinyl]amino]phenyl] ester IUPAC Name: [3-[(2-benzylsulfanyl-6-methylpyrimidin-4-yl)amino]phenyl] methyl carbonate Traditional Name: carbonic acid [3-[[2-(benzylthio)-6-methyl-pyrimidin-4-yl]amino]phenyl] methyl ester Formula: C20H19N3O3S MolecularWeight: 381.44816

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NC(=N1)SCC2=CC=CC=C2)NC3=CC(=CC=C3)OC(=O)OC

Isomeric SMILES

CC1=CC(=NC(=N1)SCC2=CC=CC=C2)NC3=CC(=CC=C3)OC(=O)OC

InChI

InChI=1S/C20H19N3O3S/c1-14-11-18(22-16-9-6-10-17(12-16)26-20(24)25-2)23-19(21-14)27-13-15-7-4-3-5-8-15/h3-12H,13H2,1-2H3,(H,21,22,23)