N-[2-[6-(2-azanylpyrimidin-5-yl)-2-morpholin-4-yl-pyrimidin-4-yl]phenyl]methanesulfonamide

Systemtic Name: N-[2-[6-(2-azanylpyrimidin-5-yl)-2-morpholin-4-yl-pyrimidin-4-yl]phenyl]methanesulfonamide Openeye Name: N-[2-[6-(2-aminopyrimidin-5-yl)-2-morpholino-pyrimidin-4-yl]phenyl]methanesulfonamide CAS Name: N-[2-[6-(2-amino-5-pyrimidinyl)-2-(4-morpholinyl)-4-pyrimidinyl]phenyl]methanesulfonamide IUPAC Name: N-[2-[6-(2-aminopyrimidin-5-yl)-2-morpholin-4-ylpyrimidin-4-yl]phenyl]methanesulfonamide Traditional Name: N-[2-[6-(2-aminopyrimidin-5-yl)-2-morpholino-pyrimidin-4-yl]phenyl]methanesulfonamide Formula: C19H21N7O3S MolecularWeight: 427.48014

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)NC1=CC=CC=C1C2=CC(=NC(=N2)N3CCOCC3)C4=CN=C(N=C4)N

Isomeric SMILES

CS(=O)(=O)NC1=CC=CC=C1C2=CC(=NC(=N2)N3CCOCC3)C4=CN=C(N=C4)N

InChI

InChI=1S/C19H21N7O3S/c1-30(27,28)25-15-5-3-2-4-14(15)17-10-16(13-11-21-18(20)22-12-13)23-19(24-17)26-6-8-29-9-7-26/h2-5,10-12,25H,6-9H2,1H3,(H2,20,21,22)