ethyl 4-azanyl-2-[2-(3-methyl-4-propan-2-yl-phenoxy)ethylsulfanyl]pyrimidine-5-carboxylate

Systemtic Name: ethyl 4-azanyl-2-[2-(3-methyl-4-propan-2-yl-phenoxy)ethylsulfanyl]pyrimidine-5-carboxylate Openeye Name: ethyl 4-amino-2-[2-(4-isopropyl-3-methyl-phenoxy)ethylsulfanyl]pyrimidine-5-carboxylate CAS Name: 4-amino-2-[2-(3-methyl-4-propan-2-ylphenoxy)ethylthio]-5-pyrimidinecarboxylic acid ethyl ester IUPAC Name: ethyl 4-amino-2-[2-(3-methyl-4-propan-2-ylphenoxy)ethylsulfanyl]pyrimidine-5-carboxylate Traditional Name: 4-amino-2-[2-(4-isopropyl-3-methyl-phenoxy)ethylthio]pyrimidine-5-carboxylic acid ethyl ester Formula: C19H25N3O3S MolecularWeight: 375.4851

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CN=C(N=C1N)SCCOC2=CC(=C(C=C2)C(C)C)C

Isomeric SMILES

CCOC(=O)C1=CN=C(N=C1N)SCCOC2=CC(=C(C=C2)C(C)C)C

InChI

InChI=1S/C19H25N3O3S/c1-5-24-18(23)16-11-21-19(22-17(16)20)26-9-8-25-14-6-7-15(12(2)3)13(4)10-14/h6-7,10-12H,5,8-9H2,1-4H3,(H2,20,21,22)