ethyl 4-azanyl-2-[2-(2,6-dimethylphenoxy)ethylsulfanyl]pyrimidine-5-carboxylate

Systemtic Name: ethyl 4-azanyl-2-[2-(2,6-dimethylphenoxy)ethylsulfanyl]pyrimidine-5-carboxylate Openeye Name: ethyl 4-amino-2-[2-(2,6-dimethylphenoxy)ethylsulfanyl]pyrimidine-5-carboxylate CAS Name: 4-amino-2-[2-(2,6-dimethylphenoxy)ethylthio]-5-pyrimidinecarboxylic acid ethyl ester IUPAC Name: ethyl 4-amino-2-[2-(2,6-dimethylphenoxy)ethylsulfanyl]pyrimidine-5-carboxylate Traditional Name: 4-amino-2-[2-(2,6-dimethylphenoxy)ethylthio]pyrimidine-5-carboxylic acid ethyl ester Formula: C17H21N3O3S MolecularWeight: 347.43194

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CN=C(N=C1N)SCCOC2=C(C=CC=C2C)C

Isomeric SMILES

CCOC(=O)C1=CN=C(N=C1N)SCCOC2=C(C=CC=C2C)C

InChI

InChI=1S/C17H21N3O3S/c1-4-22-16(21)13-10-19-17(20-15(13)18)24-9-8-23-14-11(2)6-5-7-12(14)3/h5-7,10H,4,8-9H2,1-3H3,(H2,18,19,20)