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

Systemtic Name: 4-[6-[(4-methylsulfonylpiperazin-1-yl)methyl]-4-morpholin-4-yl-thieno[3,2-d]pyrimidin-2-yl]aniline Openeye Name: 4-[6-[(4-methylsulfonylpiperazin-1-yl)methyl]-4-morpholino-thieno[3,2-d]pyrimidin-2-yl]aniline CAS Name: 4-[6-[(4-methylsulfonyl-1-piperazinyl)methyl]-4-(4-morpholinyl)-2-thieno[3,2-d]pyrimidinyl]aniline IUPAC Name: 4-[6-[(4-methylsulfonylpiperazin-1-yl)methyl]-4-morpholin-4-ylthieno[3,2-d]pyrimidin-2-yl]aniline Traditional Name: [4-[6-[(4-mesylpiperazino)methyl]-4-morpholino-thieno[3,2-d]pyrimidin-2-yl]phenyl]amine Formula: C22H28N6O3S2 MolecularWeight: 488.62612

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H28N6O3S2/c1-33(29,30)28-8-6-26(7-9-28)15-18-14-19-20(32-18)22(27-10-12-31-13-11-27)25-21(24-19)16-2-4-17(23)5-3-16/h2-5,14H,6-13,15,23H2,1H3