methyl 2-[4-[5-(2-phenylsulfanylethanoylamino)pyrimidin-4-yl]oxyphenyl]ethanoate

Systemtic Name: methyl 2-[4-[5-(2-phenylsulfanylethanoylamino)pyrimidin-4-yl]oxyphenyl]ethanoate Openeye Name: methyl 2-[4-[5-[(2-phenylsulfanylacetyl)amino]pyrimidin-4-yl]oxyphenyl]acetate CAS Name: 2-[4-[[5-[[1-oxo-2-(phenylthio)ethyl]amino]-4-pyrimidinyl]oxy]phenyl]acetic acid methyl ester IUPAC Name: methyl 2-[4-[5-[(2-phenylsulfanylacetyl)amino]pyrimidin-4-yl]oxyphenyl]acetate Traditional Name: 2-[4-[5-[[2-(phenylthio)acetyl]amino]pyrimidin-4-yl]oxyphenyl]acetic acid methyl ester Formula: C21H19N3O4S MolecularWeight: 409.45826

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)CC1=CC=C(C=C1)OC2=NC=NC=C2NC(=O)CSC3=CC=CC=C3

Isomeric SMILES

COC(=O)CC1=CC=C(C=C1)OC2=NC=NC=C2NC(=O)CSC3=CC=CC=C3

InChI

InChI=1S/C21H19N3O4S/c1-27-20(26)11-15-7-9-16(10-8-15)28-21-18(12-22-14-23-21)24-19(25)13-29-17-5-3-2-4-6-17/h2-10,12,14H,11,13H2,1H3,(H,24,25)