ethyl 4-azanyl-2-[(3-phenoxyphenyl)methylsulfanyl]pyrimidine-5-carboxylate

Systemtic Name: ethyl 4-azanyl-2-[(3-phenoxyphenyl)methylsulfanyl]pyrimidine-5-carboxylate Openeye Name: ethyl 4-amino-2-[(3-phenoxyphenyl)methylsulfanyl]pyrimidine-5-carboxylate CAS Name: 4-amino-2-[(3-phenoxyphenyl)methylthio]-5-pyrimidinecarboxylic acid ethyl ester IUPAC Name: ethyl 4-amino-2-[(3-phenoxyphenyl)methylsulfanyl]pyrimidine-5-carboxylate Traditional Name: 4-amino-2-[(3-phenoxybenzyl)thio]pyrimidine-5-carboxylic acid ethyl ester Formula: C20H19N3O3S MolecularWeight: 381.44816

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CN=C(N=C1N)SCC2=CC(=CC=C2)OC3=CC=CC=C3

Isomeric SMILES

CCOC(=O)C1=CN=C(N=C1N)SCC2=CC(=CC=C2)OC3=CC=CC=C3

InChI

InChI=1S/C20H19N3O3S/c1-2-25-19(24)17-12-22-20(23-18(17)21)27-13-14-7-6-10-16(11-14)26-15-8-4-3-5-9-15/h3-12H,2,13H2,1H3,(H2,21,22,23)