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

Systemtic Name: methyl 5-methyl-4-oxidanylidene-3-(3-phenoxypropyl)thieno[2,3-d]pyrimidine-6-carboxylate Openeye Name: methyl 5-methyl-4-oxo-3-(3-phenoxypropyl)thieno[2,3-d]pyrimidine-6-carboxylate CAS Name: 5-methyl-4-oxo-3-(3-phenoxypropyl)-6-thieno[2,3-d]pyrimidinecarboxylic acid methyl ester IUPAC Name: methyl 5-methyl-4-oxo-3-(3-phenoxypropyl)thieno[2,3-d]pyrimidine-6-carboxylate Traditional Name: 4-keto-5-methyl-3-(3-phenoxypropyl)thieno[2,3-d]pyrimidine-6-carboxylic acid methyl ester Formula: C18H18N2O4S MolecularWeight: 358.41152

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC2=C1C(=O)N(C=N2)CCCOC3=CC=CC=C3)C(=O)OC

Isomeric SMILES

CC1=C(SC2=C1C(=O)N(C=N2)CCCOC3=CC=CC=C3)C(=O)OC

InChI

InChI=1S/C18H18N2O4S/c1-12-14-16(25-15(12)18(22)23-2)19-11-20(17(14)21)9-6-10-24-13-7-4-3-5-8-13/h3-5,7-8,11H,6,9-10H2,1-2H3