3-[6-[(4-methylsulfonylpiperazin-1-yl)methyl]-4-morpholin-4-yl-thieno[3,2-d]pyrimidin-2-yl]benzamide

Systemtic Name: 3-[6-[(4-methylsulfonylpiperazin-1-yl)methyl]-4-morpholin-4-yl-thieno[3,2-d]pyrimidin-2-yl]benzamide Openeye Name: 3-[6-[(4-methylsulfonylpiperazin-1-yl)methyl]-4-morpholino-thieno[3,2-d]pyrimidin-2-yl]benzamide CAS Name: 3-[6-[(4-methylsulfonyl-1-piperazinyl)methyl]-4-(4-morpholinyl)-2-thieno[3,2-d]pyrimidinyl]benzamide IUPAC Name: 3-[6-[(4-methylsulfonylpiperazin-1-yl)methyl]-4-morpholin-4-ylthieno[3,2-d]pyrimidin-2-yl]benzamide Traditional Name: 3-[6-[(4-mesylpiperazino)methyl]-4-morpholino-thieno[3,2-d]pyrimidin-2-yl]benzamide Formula: C23H28N6O4S2 MolecularWeight: 516.63622

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)N1CCN(CC1)CC2=CC3=C(S2)C(=NC(=N3)C4=CC(=CC=C4)C(=O)N)N5CCOCC5

Isomeric SMILES

CS(=O)(=O)N1CCN(CC1)CC2=CC3=C(S2)C(=NC(=N3)C4=CC(=CC=C4)C(=O)N)N5CCOCC5

InChI

InChI=1S/C23H28N6O4S2/c1-35(31,32)29-7-5-27(6-8-29)15-18-14-19-20(34-18)23(28-9-11-33-12-10-28)26-22(25-19)17-4-2-3-16(13-17)21(24)30/h2-4,13-14H,5-12,15H2,1H3,(H2,24,30)