5-methyl-4-oxidanylidene-3-[2-oxidanylidene-2-(4-pyridin-2-ylpiperazin-1-yl)ethyl]-N-(4-phenoxyphenyl)thieno[2,3-d]pyrimidine-6-carboxamide

Systemtic Name: 5-methyl-4-oxidanylidene-3-[2-oxidanylidene-2-(4-pyridin-2-ylpiperazin-1-yl)ethyl]-N-(4-phenoxyphenyl)thieno[2,3-d]pyrimidine-6-carboxamide Openeye Name: 5-methyl-4-oxo-3-[2-oxo-2-[4-(2-pyridyl)piperazin-1-yl]ethyl]-N-(4-phenoxyphenyl)thieno[2,3-d]pyrimidine-6-carboxamide CAS Name: 5-methyl-4-oxo-3-[2-oxo-2-[4-(2-pyridinyl)-1-piperazinyl]ethyl]-N-(4-phenoxyphenyl)-6-thieno[2,3-d]pyrimidinecarboxamide IUPAC Name: 5-methyl-4-oxo-3-[2-oxo-2-(4-pyridin-2-ylpiperazin-1-yl)ethyl]-N-(4-phenoxyphenyl)thieno[2,3-d]pyrimidine-6-carboxamide Traditional Name: 4-keto-3-[2-keto-2-[4-(2-pyridyl)piperazino]ethyl]-5-methyl-N-(4-phenoxyphenyl)thieno[2,3-d]pyrimidine-6-carboxamide Formula: C31H28N6O4S MolecularWeight: 580.65682

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC2=C1C(=O)N(C=N2)CC(=O)N3CCN(CC3)C4=CC=CC=N4)C(=O)NC5=CC=C(C=C5)OC6=CC=CC=C6

Isomeric SMILES

CC1=C(SC2=C1C(=O)N(C=N2)CC(=O)N3CCN(CC3)C4=CC=CC=N4)C(=O)NC5=CC=C(C=C5)OC6=CC=CC=C6

InChI

InChI=1S/C31H28N6O4S/c1-21-27-30(42-28(21)29(39)34-22-10-12-24(13-11-22)41-23-7-3-2-4-8-23)33-20-37(31(27)40)19-26(38)36-17-15-35(16-18-36)25-9-5-6-14-32-25/h2-14,20H,15-19H2,1H3,(H,34,39)