5-[6-[3-[(4-methylsulfonylpiperazin-1-yl)methyl]phenoxy]-2-morpholin-4-yl-pyrimidin-4-yl]pyrimidin-2-amine

Systemtic Name: 5-[6-[3-[(4-methylsulfonylpiperazin-1-yl)methyl]phenoxy]-2-morpholin-4-yl-pyrimidin-4-yl]pyrimidin-2-amine Openeye Name: 5-[6-[3-[(4-methylsulfonylpiperazin-1-yl)methyl]phenoxy]-2-morpholino-pyrimidin-4-yl]pyrimidin-2-amine CAS Name: 5-[6-[3-[(4-methylsulfonyl-1-piperazinyl)methyl]phenoxy]-2-(4-morpholinyl)-4-pyrimidinyl]-2-pyrimidinamine IUPAC Name: 5-[6-[3-[(4-methylsulfonylpiperazin-1-yl)methyl]phenoxy]-2-morpholin-4-ylpyrimidin-4-yl]pyrimidin-2-amine Traditional Name: [5-[6-[3-[(4-mesylpiperazino)methyl]phenoxy]-2-morpholino-pyrimidin-4-yl]pyrimidin-2-yl]amine Formula: C24H30N8O4S MolecularWeight: 526.6112

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)N1CCN(CC1)CC2=CC(=CC=C2)OC3=NC(=NC(=C3)C4=CN=C(N=C4)N)N5CCOCC5

Isomeric SMILES

CS(=O)(=O)N1CCN(CC1)CC2=CC(=CC=C2)OC3=NC(=NC(=C3)C4=CN=C(N=C4)N)N5CCOCC5

InChI

InChI=1S/C24H30N8O4S/c1-37(33,34)32-7-5-30(6-8-32)17-18-3-2-4-20(13-18)36-22-14-21(19-15-26-23(25)27-16-19)28-24(29-22)31-9-11-35-12-10-31/h2-4,13-16H,5-12,17H2,1H3,(H2,25,26,27)