ethyl 4-phenylazanyl-2-pyridin-3-yl-6-thiomorpholin-4-yl-pyrimidine-5-carboxylate

Systemtic Name: ethyl 4-phenylazanyl-2-pyridin-3-yl-6-thiomorpholin-4-yl-pyrimidine-5-carboxylate Openeye Name: ethyl 4-anilino-2-(3-pyridyl)-6-thiomorpholino-pyrimidine-5-carboxylate CAS Name: 4-anilino-2-(3-pyridinyl)-6-thiomorpholin-4-yl-5-pyrimidinecarboxylic acid ethyl ester IUPAC Name: ethyl 4-anilino-2-pyridin-3-yl-6-thiomorpholin-4-ylpyrimidine-5-carboxylate Traditional Name: 4-anilino-2-(3-pyridyl)-6-thiomorpholino-pyrimidine-5-carboxylic acid ethyl ester Formula: C22H23N5O2S MolecularWeight: 421.51532

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(N=C(N=C1NC2=CC=CC=C2)C3=CN=CC=C3)N4CCSCC4

Isomeric SMILES

CCOC(=O)C1=C(N=C(N=C1NC2=CC=CC=C2)C3=CN=CC=C3)N4CCSCC4

InChI

InChI=1S/C22H23N5O2S/c1-2-29-22(28)18-20(24-17-8-4-3-5-9-17)25-19(16-7-6-10-23-15-16)26-21(18)27-11-13-30-14-12-27/h3-10,15H,2,11-14H2,1H3,(H,24,25,26)