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

Systemtic Name: ethyl 4-[(2,5-dimethyl-4-piperidin-1-yl-thieno[2,3-d]pyrimidin-6-yl)carbonylamino]benzoate Openeye Name: ethyl 4-[[2,5-dimethyl-4-(1-piperidyl)thieno[2,3-d]pyrimidine-6-carbonyl]amino]benzoate CAS Name: 4-[[[2,5-dimethyl-4-(1-piperidinyl)-6-thieno[2,3-d]pyrimidinyl]-oxomethyl]amino]benzoic acid ethyl ester IUPAC Name: ethyl 4-[(2,5-dimethyl-4-piperidin-1-ylthieno[2,3-d]pyrimidine-6-carbonyl)amino]benzoate Traditional Name: 4-[(2,5-dimethyl-4-piperidino-thieno[2,3-d]pyrimidine-6-carbonyl)amino]benzoic acid ethyl ester Formula: C23H26N4O3S MolecularWeight: 438.54254

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC=C(C=C1)NC(=O)C2=C(C3=C(N=C(N=C3S2)C)N4CCCCC4)C

Isomeric SMILES

CCOC(=O)C1=CC=C(C=C1)NC(=O)C2=C(C3=C(N=C(N=C3S2)C)N4CCCCC4)C

InChI

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