2-methylpropyl 3-[2-(azepan-1-yl)-2-oxidanylidene-ethyl]-5-methyl-4-oxidanylidene-thieno[2,3-d]pyrimidine-6-carboxylate

Systemtic Name: 2-methylpropyl 3-[2-(azepan-1-yl)-2-oxidanylidene-ethyl]-5-methyl-4-oxidanylidene-thieno[2,3-d]pyrimidine-6-carboxylate Openeye Name: isobutyl 3-[2-(azepan-1-yl)-2-oxo-ethyl]-5-methyl-4-oxo-thieno[2,3-d]pyrimidine-6-carboxylate CAS Name: 3-[2-(1-azepanyl)-2-oxoethyl]-5-methyl-4-oxo-6-thieno[2,3-d]pyrimidinecarboxylic acid 2-methylpropyl ester IUPAC Name: 2-methylpropyl 3-[2-(azepan-1-yl)-2-oxoethyl]-5-methyl-4-oxothieno[2,3-d]pyrimidine-6-carboxylate Traditional Name: 3-[2-(azepan-1-yl)-2-keto-ethyl]-4-keto-5-methyl-thieno[2,3-d]pyrimidine-6-carboxylic acid isobutyl ester Formula: C20H27N3O4S MolecularWeight: 405.51108

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC2=C1C(=O)N(C=N2)CC(=O)N3CCCCCC3)C(=O)OCC(C)C

Isomeric SMILES

CC1=C(SC2=C1C(=O)N(C=N2)CC(=O)N3CCCCCC3)C(=O)OCC(C)C

InChI

InChI=1S/C20H27N3O4S/c1-13(2)11-27-20(26)17-14(3)16-18(28-17)21-12-23(19(16)25)10-15(24)22-8-6-4-5-7-9-22/h12-13H,4-11H2,1-3H3