N-[3-[3-methyl-4-[[4-(6-methylpyridin-3-yl)oxyphenyl]amino]-4H-quinazolin-6-yl]prop-2-ynyl]-2-methylsulfonyl-ethanamide

Systemtic Name: N-[3-[3-methyl-4-[[4-(6-methylpyridin-3-yl)oxyphenyl]amino]-4H-quinazolin-6-yl]prop-2-ynyl]-2-methylsulfonyl-ethanamide Openeye Name: N-[3-[3-methyl-4-[4-[(6-methyl-3-pyridyl)oxy]anilino]-4H-quinazolin-6-yl]prop-2-ynyl]-2-methylsulfonyl-acetamide CAS Name: N-[3-[3-methyl-4-[4-[(6-methyl-3-pyridinyl)oxy]anilino]-4H-quinazolin-6-yl]prop-2-ynyl]-2-methylsulfonylacetamide IUPAC Name: N-[3-[3-methyl-4-[4-(6-methylpyridin-3-yl)oxyanilino]-4H-quinazolin-6-yl]prop-2-ynyl]-2-methylsulfonylacetamide Traditional Name: 2-mesyl-N-[3-[3-methyl-4-[4-[(6-methyl-3-pyridyl)oxy]anilino]-4H-quinazolin-6-yl]prop-2-ynyl]acetamide Formula: C27H27N5O4S MolecularWeight: 517.59938

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC=C(C=C1)OC2=CC=C(C=C2)NC3C4=C(C=CC(=C4)C#CCNC(=O)CS(=O)(=O)C)N=CN3C

Isomeric SMILES

CC1=NC=C(C=C1)OC2=CC=C(C=C2)NC3C4=C(C=CC(=C4)C#CCNC(=O)CS(=O)(=O)C)N=CN3C

InChI

InChI=1S/C27H27N5O4S/c1-19-6-10-23(16-29-19)36-22-11-8-21(9-12-22)31-27-24-15-20(7-13-25(24)30-18-32(27)2)5-4-14-28-26(33)17-37(3,34)35/h6-13,15-16,18,27,31H,14,17H2,1-3H3,(H,28,33)