azanyl 3-ethyl-2-methylsulfanyl-4-[4-(oxan-2-yloxymethyl)phenyl]-4H-pyrimidine-5-carboxylate

Systemtic Name: azanyl 3-ethyl-2-methylsulfanyl-4-[4-(oxan-2-yloxymethyl)phenyl]-4H-pyrimidine-5-carboxylate Openeye Name: amino 3-ethyl-2-methylsulfanyl-4-[4-(tetrahydropyran-2-yloxymethyl)phenyl]-4H-pyrimidine-5-carboxylate CAS Name: 3-ethyl-2-(methylthio)-4-[4-(2-oxanyloxymethyl)phenyl]-4H-pyrimidine-5-carboxylic acid amino ester IUPAC Name: amino 3-ethyl-2-methylsulfanyl-4-[4-(oxan-2-yloxymethyl)phenyl]-4H-pyrimidine-5-carboxylate Traditional Name: 3-ethyl-2-(methylthio)-4-[4-(tetrahydropyran-2-yloxymethyl)phenyl]-4H-pyrimidine-5-carboxylic acid amino ester Formula: C20H27N3O4S MolecularWeight: 405.51108

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C(C(=CN=C1SC)C(=O)ON)C2=CC=C(C=C2)COC3CCCCO3

Isomeric SMILES

CCN1C(C(=CN=C1SC)C(=O)ON)C2=CC=C(C=C2)COC3CCCCO3

InChI

InChI=1S/C20H27N3O4S/c1-3-23-18(16(19(24)27-21)12-22-20(23)28-2)15-9-7-14(8-10-15)13-26-17-6-4-5-11-25-17/h7-10,12,17-18H,3-6,11,13,21H2,1-2H3