ethyl 4-azanyl-2-[(4-methoxyphenyl)methylsulfanyl]pyrimidine-5-carboxylate

Systemtic Name: ethyl 4-azanyl-2-[(4-methoxyphenyl)methylsulfanyl]pyrimidine-5-carboxylate Openeye Name: ethyl 4-amino-2-[(4-methoxyphenyl)methylsulfanyl]pyrimidine-5-carboxylate CAS Name: 4-amino-2-[(4-methoxyphenyl)methylthio]-5-pyrimidinecarboxylic acid ethyl ester IUPAC Name: ethyl 4-amino-2-[(4-methoxyphenyl)methylsulfanyl]pyrimidine-5-carboxylate Traditional Name: 4-amino-2-(p-anisylthio)pyrimidine-5-carboxylic acid ethyl ester Formula: C15H17N3O3S MolecularWeight: 319.37878

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CN=C(N=C1N)SCC2=CC=C(C=C2)OC

Isomeric SMILES

CCOC(=O)C1=CN=C(N=C1N)SCC2=CC=C(C=C2)OC

InChI

InChI=1S/C15H17N3O3S/c1-3-21-14(19)12-8-17-15(18-13(12)16)22-9-10-4-6-11(20-2)7-5-10/h4-8H,3,9H2,1-2H3,(H2,16,17,18)