4-[5-(2-methoxyphenoxy)-6-[(5-methylpyridin-2-yl)sulfonylamino]-2-morpholin-4-yl-pyrimidin-4-yl]oxybut-2-ynyl N-pyridin-3-ylcarbamate

Systemtic Name: 4-[5-(2-methoxyphenoxy)-6-[(5-methylpyridin-2-yl)sulfonylamino]-2-morpholin-4-yl-pyrimidin-4-yl]oxybut-2-ynyl N-pyridin-3-ylcarbamate Openeye Name: 4-[5-(2-methoxyphenoxy)-6-[(5-methyl-2-pyridyl)sulfonylamino]-2-morpholino-pyrimidin-4-yl]oxybut-2-ynyl N-(3-pyridyl)carbamate CAS Name: N-(3-pyridinyl)carbamic acid 4-[[5-(2-methoxyphenoxy)-6-[(5-methyl-2-pyridinyl)sulfonylamino]-2-(4-morpholinyl)-4-pyrimidinyl]oxy]but-2-ynyl ester IUPAC Name: 4-[5-(2-methoxyphenoxy)-6-[(5-methylpyridin-2-yl)sulfonylamino]-2-morpholin-4-ylpyrimidin-4-yl]oxybut-2-ynyl N-pyridin-3-ylcarbamate Traditional Name: N-(3-pyridyl)carbamic acid 4-[5-(2-methoxyphenoxy)-6-[(5-methyl-2-pyridyl)sulfonylamino]-2-morpholino-pyrimidin-4-yl]oxybut-2-ynyl ester Formula: C31H31N7O8S MolecularWeight: 661.68494

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CN=C(C=C1)S(=O)(=O)NC2=C(C(=NC(=N2)N3CCOCC3)OCC#CCOC(=O)NC4=CN=CC=C4)OC5=CC=CC=C5OC

Isomeric SMILES

CC1=CN=C(C=C1)S(=O)(=O)NC2=C(C(=NC(=N2)N3CCOCC3)OCC#CCOC(=O)NC4=CN=CC=C4)OC5=CC=CC=C5OC

InChI

InChI=1S/C31H31N7O8S/c1-22-11-12-26(33-20-22)47(40,41)37-28-27(46-25-10-4-3-9-24(25)42-2)29(36-30(35-28)38-14-18-43-19-15-38)44-16-5-6-17-45-31(39)34-23-8-7-13-32-21-23/h3-4,7-13,20-21H,14-19H2,1-2H3,(H,34,39)(H,35,36,37)