ethyl 4-[[4-(azepan-1-yl)-5-methyl-thieno[2,3-d]pyrimidin-6-yl]carbonylamino]benzoate

Systemtic Name: ethyl 4-[[4-(azepan-1-yl)-5-methyl-thieno[2,3-d]pyrimidin-6-yl]carbonylamino]benzoate Openeye Name: ethyl 4-[[4-(azepan-1-yl)-5-methyl-thieno[2,3-d]pyrimidine-6-carbonyl]amino]benzoate CAS Name: 4-[[[4-(1-azepanyl)-5-methyl-6-thieno[2,3-d]pyrimidinyl]-oxomethyl]amino]benzoic acid ethyl ester IUPAC Name: ethyl 4-[[4-(azepan-1-yl)-5-methylthieno[2,3-d]pyrimidine-6-carbonyl]amino]benzoate Traditional Name: 4-[[4-(azepan-1-yl)-5-methyl-thieno[2,3-d]pyrimidine-6-carbonyl]amino]benzoic acid ethyl ester Formula: C23H26N4O3S MolecularWeight: 438.54254

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC=C(C=C1)NC(=O)C2=C(C3=C(N=CN=C3S2)N4CCCCCC4)C

Isomeric SMILES

CCOC(=O)C1=CC=C(C=C1)NC(=O)C2=C(C3=C(N=CN=C3S2)N4CCCCCC4)C

InChI

InChI=1S/C23H26N4O3S/c1-3-30-23(29)16-8-10-17(11-9-16)26-21(28)19-15(2)18-20(24-14-25-22(18)31-19)27-12-6-4-5-7-13-27/h8-11,14H,3-7,12-13H2,1-2H3,(H,26,28)