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

Systemtic Name: ethyl 5-methyl-4-(4-methylsulfonyl-1,4-diazepan-1-yl)thieno[2,3-d]pyrimidine-6-carboxylate Openeye Name: ethyl 5-methyl-4-(4-methylsulfonyl-1,4-diazepan-1-yl)thieno[2,3-d]pyrimidine-6-carboxylate CAS Name: 5-methyl-4-(4-methylsulfonyl-1,4-diazepan-1-yl)-6-thieno[2,3-d]pyrimidinecarboxylic acid ethyl ester IUPAC Name: ethyl 5-methyl-4-(4-methylsulfonyl-1,4-diazepan-1-yl)thieno[2,3-d]pyrimidine-6-carboxylate Traditional Name: 4-(4-mesyl-1,4-diazepan-1-yl)-5-methyl-thieno[2,3-d]pyrimidine-6-carboxylic acid ethyl ester Formula: C16H22N4O4S2 MolecularWeight: 398.50028

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(C2=C(N=CN=C2S1)N3CCCN(CC3)S(=O)(=O)C)C

Isomeric SMILES

CCOC(=O)C1=C(C2=C(N=CN=C2S1)N3CCCN(CC3)S(=O)(=O)C)C

InChI

InChI=1S/C16H22N4O4S2/c1-4-24-16(21)13-11(2)12-14(17-10-18-15(12)25-13)19-6-5-7-20(9-8-19)26(3,22)23/h10H,4-9H2,1-3H3