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

Systemtic Name: ethyl 2-[[5-methyl-4-(4-phenylpiperazin-1-yl)thieno[2,3-d]pyrimidin-6-yl]carbonylamino]benzoate Openeye Name: ethyl 2-[[5-methyl-4-(4-phenylpiperazin-1-yl)thieno[2,3-d]pyrimidine-6-carbonyl]amino]benzoate CAS Name: 2-[[[5-methyl-4-(4-phenyl-1-piperazinyl)-6-thieno[2,3-d]pyrimidinyl]-oxomethyl]amino]benzoic acid ethyl ester IUPAC Name: ethyl 2-[[5-methyl-4-(4-phenylpiperazin-1-yl)thieno[2,3-d]pyrimidine-6-carbonyl]amino]benzoate Traditional Name: 2-[[5-methyl-4-(4-phenylpiperazino)thieno[2,3-d]pyrimidine-6-carbonyl]amino]benzoic acid ethyl ester Formula: C27H27N5O3S MolecularWeight: 501.59998

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC=CC=C1NC(=O)C2=C(C3=C(N=CN=C3S2)N4CCN(CC4)C5=CC=CC=C5)C

Isomeric SMILES

CCOC(=O)C1=CC=CC=C1NC(=O)C2=C(C3=C(N=CN=C3S2)N4CCN(CC4)C5=CC=CC=C5)C

InChI

InChI=1S/C27H27N5O3S/c1-3-35-27(34)20-11-7-8-12-21(20)30-25(33)23-18(2)22-24(28-17-29-26(22)36-23)32-15-13-31(14-16-32)19-9-5-4-6-10-19/h4-12,17H,3,13-16H2,1-2H3,(H,30,33)