[1-(azepan-1-yl)-1-oxidanylidene-propan-2-yl] 3,5-dimethyl-4-oxidanylidene-thieno[2,3-d]pyrimidine-6-carboxylate

Systemtic Name: [1-(azepan-1-yl)-1-oxidanylidene-propan-2-yl] 3,5-dimethyl-4-oxidanylidene-thieno[2,3-d]pyrimidine-6-carboxylate Openeye Name: [2-(azepan-1-yl)-1-methyl-2-oxo-ethyl] 3,5-dimethyl-4-oxo-thieno[2,3-d]pyrimidine-6-carboxylate CAS Name: 3,5-dimethyl-4-oxo-6-thieno[2,3-d]pyrimidinecarboxylic acid [1-(1-azepanyl)-1-oxopropan-2-yl] ester IUPAC Name: [1-(azepan-1-yl)-1-oxopropan-2-yl] 3,5-dimethyl-4-oxothieno[2,3-d]pyrimidine-6-carboxylate Traditional Name: 4-keto-3,5-dimethyl-thieno[2,3-d]pyrimidine-6-carboxylic acid [2-(azepan-1-yl)-2-keto-1-methyl-ethyl] ester Formula: C18H23N3O4S MolecularWeight: 377.45792

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC2=C1C(=O)N(C=N2)C)C(=O)OC(C)C(=O)N3CCCCCC3

Isomeric SMILES

CC1=C(SC2=C1C(=O)N(C=N2)C)C(=O)OC(C)C(=O)N3CCCCCC3

InChI

InChI=1S/C18H23N3O4S/c1-11-13-15(19-10-20(3)17(13)23)26-14(11)18(24)25-12(2)16(22)21-8-6-4-5-7-9-21/h10,12H,4-9H2,1-3H3