ethyl 2-methylsulfanyl-4-[[4-(oxan-2-yloxymethyl)phenyl]amino]pyrimidine-5-carboxylate

Systemtic Name: ethyl 2-methylsulfanyl-4-[[4-(oxan-2-yloxymethyl)phenyl]amino]pyrimidine-5-carboxylate Openeye Name: ethyl 2-methylsulfanyl-4-[4-(tetrahydropyran-2-yloxymethyl)anilino]pyrimidine-5-carboxylate CAS Name: 2-(methylthio)-4-[4-(2-oxanyloxymethyl)anilino]-5-pyrimidinecarboxylic acid ethyl ester IUPAC Name: ethyl 2-methylsulfanyl-4-[4-(oxan-2-yloxymethyl)anilino]pyrimidine-5-carboxylate Traditional Name: 2-(methylthio)-4-[4-(tetrahydropyran-2-yloxymethyl)anilino]pyrimidine-5-carboxylic acid ethyl ester Formula: C20H25N3O4S MolecularWeight: 403.4952

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CN=C(N=C1NC2=CC=C(C=C2)COC3CCCCO3)SC

Isomeric SMILES

CCOC(=O)C1=CN=C(N=C1NC2=CC=C(C=C2)COC3CCCCO3)SC

InChI

InChI=1S/C20H25N3O4S/c1-3-25-19(24)16-12-21-20(28-2)23-18(16)22-15-9-7-14(8-10-15)13-27-17-6-4-5-11-26-17/h7-10,12,17H,3-6,11,13H2,1-2H3,(H,21,22,23)