ethyl 3-heptyl-5-methyl-4-oxidanylidene-thieno[2,3-d]pyrimidine-6-carboxylate

Systemtic Name: ethyl 3-heptyl-5-methyl-4-oxidanylidene-thieno[2,3-d]pyrimidine-6-carboxylate Openeye Name: ethyl 3-heptyl-5-methyl-4-oxo-thieno[2,3-d]pyrimidine-6-carboxylate CAS Name: 3-heptyl-5-methyl-4-oxo-6-thieno[2,3-d]pyrimidinecarboxylic acid ethyl ester IUPAC Name: ethyl 3-heptyl-5-methyl-4-oxothieno[2,3-d]pyrimidine-6-carboxylate Traditional Name: 3-heptyl-4-keto-5-methyl-thieno[2,3-d]pyrimidine-6-carboxylic acid ethyl ester Formula: C17H24N2O3S MolecularWeight: 336.44906

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCN1C=NC2=C(C1=O)C(=C(S2)C(=O)OCC)C

Isomeric SMILES

CCCCCCCN1C=NC2=C(C1=O)C(=C(S2)C(=O)OCC)C

InChI

InChI=1S/C17H24N2O3S/c1-4-6-7-8-9-10-19-11-18-15-13(16(19)20)12(3)14(23-15)17(21)22-5-2/h11H,4-10H2,1-3H3