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

Systemtic Name: ethyl [4-[[6-methyl-2-(phenylmethylsulfanyl)pyrimidin-4-yl]amino]phenyl] carbonate Openeye Name: [4-[(2-benzylsulfanyl-6-methyl-pyrimidin-4-yl)amino]phenyl] ethyl carbonate CAS Name: carbonic acid ethyl [4-[[6-methyl-2-(phenylmethylthio)-4-pyrimidinyl]amino]phenyl] ester IUPAC Name: [4-[(2-benzylsulfanyl-6-methylpyrimidin-4-yl)amino]phenyl] ethyl carbonate Traditional Name: carbonic acid [4-[[2-(benzylthio)-6-methyl-pyrimidin-4-yl]amino]phenyl] ethyl ester Formula: C21H21N3O3S MolecularWeight: 395.47474

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)OC1=CC=C(C=C1)NC2=NC(=NC(=C2)C)SCC3=CC=CC=C3

Isomeric SMILES

CCOC(=O)OC1=CC=C(C=C1)NC2=NC(=NC(=C2)C)SCC3=CC=CC=C3

InChI

InChI=1S/C21H21N3O3S/c1-3-26-21(25)27-18-11-9-17(10-12-18)23-19-13-15(2)22-20(24-19)28-14-16-7-5-4-6-8-16/h4-13H,3,14H2,1-2H3,(H,22,23,24)