2-phenoxyethyl 3-(cyanomethyl)-5-methyl-4-oxidanylidene-thieno[2,3-d]pyrimidine-6-carboxylate

Systemtic Name: 2-phenoxyethyl 3-(cyanomethyl)-5-methyl-4-oxidanylidene-thieno[2,3-d]pyrimidine-6-carboxylate Openeye Name: 2-phenoxyethyl 3-(cyanomethyl)-5-methyl-4-oxo-thieno[2,3-d]pyrimidine-6-carboxylate CAS Name: 3-(cyanomethyl)-5-methyl-4-oxo-6-thieno[2,3-d]pyrimidinecarboxylic acid 2-phenoxyethyl ester IUPAC Name: 2-phenoxyethyl 3-(cyanomethyl)-5-methyl-4-oxothieno[2,3-d]pyrimidine-6-carboxylate Traditional Name: 3-(cyanomethyl)-4-keto-5-methyl-thieno[2,3-d]pyrimidine-6-carboxylic acid 2-phenoxyethyl ester Formula: C18H15N3O4S MolecularWeight: 369.3944

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC2=C1C(=O)N(C=N2)CC#N)C(=O)OCCOC3=CC=CC=C3

Isomeric SMILES

CC1=C(SC2=C1C(=O)N(C=N2)CC#N)C(=O)OCCOC3=CC=CC=C3

InChI

InChI=1S/C18H15N3O4S/c1-12-14-16(20-11-21(8-7-19)17(14)22)26-15(12)18(23)25-10-9-24-13-5-3-2-4-6-13/h2-6,11H,8-10H2,1H3