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

Systemtic Name: ethyl 2,5-dimethyl-4-(5-oxidanylidene-1,4-diazepan-1-yl)thieno[2,3-d]pyrimidine-6-carboxylate Openeye Name: ethyl 2,5-dimethyl-4-(5-oxo-1,4-diazepan-1-yl)thieno[2,3-d]pyrimidine-6-carboxylate CAS Name: 2,5-dimethyl-4-(5-oxo-1,4-diazepan-1-yl)-6-thieno[2,3-d]pyrimidinecarboxylic acid ethyl ester IUPAC Name: ethyl 2,5-dimethyl-4-(5-oxo-1,4-diazepan-1-yl)thieno[2,3-d]pyrimidine-6-carboxylate Traditional Name: 4-(5-keto-1,4-diazepan-1-yl)-2,5-dimethyl-thieno[2,3-d]pyrimidine-6-carboxylic acid ethyl ester Formula: C16H20N4O3S MolecularWeight: 348.42

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(C2=C(N=C(N=C2S1)C)N3CCC(=O)NCC3)C

Isomeric SMILES

CCOC(=O)C1=C(C2=C(N=C(N=C2S1)C)N3CCC(=O)NCC3)C

InChI

InChI=1S/C16H20N4O3S/c1-4-23-16(22)13-9(2)12-14(18-10(3)19-15(12)24-13)20-7-5-11(21)17-6-8-20/h4-8H2,1-3H3,(H,17,21)