N-[4-[[3-methyl-4-(6-methylpyridin-3-yl)oxy-phenyl]amino]quinazolin-6-yl]-3-(2-methylsulfonylethanoylamino)propanamide

Systemtic Name: N-[4-[[3-methyl-4-(6-methylpyridin-3-yl)oxy-phenyl]amino]quinazolin-6-yl]-3-(2-methylsulfonylethanoylamino)propanamide Openeye Name: N-[4-[3-methyl-4-[(6-methyl-3-pyridyl)oxy]anilino]quinazolin-6-yl]-3-[(2-methylsulfonylacetyl)amino]propanamide CAS Name: N-[4-[3-methyl-4-[(6-methyl-3-pyridinyl)oxy]anilino]-6-quinazolinyl]-3-[(2-methylsulfonyl-1-oxoethyl)amino]propanamide IUPAC Name: N-[4-[3-methyl-4-(6-methylpyridin-3-yl)oxyanilino]quinazolin-6-yl]-3-[(2-methylsulfonylacetyl)amino]propanamide Traditional Name: 3-[(2-mesylacetyl)amino]-N-[4-[3-methyl-4-[(6-methyl-3-pyridyl)oxy]anilino]quinazolin-6-yl]propionamide Formula: C27H28N6O5S MolecularWeight: 548.61342

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC=C(C=C1)OC2=C(C=C(C=C2)NC3=NC=NC4=C3C=C(C=C4)NC(=O)CCNC(=O)CS(=O)(=O)C)C

Isomeric SMILES

CC1=NC=C(C=C1)OC2=C(C=C(C=C2)NC3=NC=NC4=C3C=C(C=C4)NC(=O)CCNC(=O)CS(=O)(=O)C)C

InChI

InChI=1S/C27H28N6O5S/c1-17-12-19(6-9-24(17)38-21-7-4-18(2)29-14-21)33-27-22-13-20(5-8-23(22)30-16-31-27)32-25(34)10-11-28-26(35)15-39(3,36)37/h4-9,12-14,16H,10-11,15H2,1-3H3,(H,28,35)(H,32,34)(H,30,31,33)