N-[2-methyl-4-[3-methyl-4-[[4-(6-methylpyridin-3-yl)oxyphenyl]amino]-4H-quinazolin-6-yl]but-3-yn-2-yl]-2-oxidanyl-ethanamide

Systemtic Name: N-[2-methyl-4-[3-methyl-4-[[4-(6-methylpyridin-3-yl)oxyphenyl]amino]-4H-quinazolin-6-yl]but-3-yn-2-yl]-2-oxidanyl-ethanamide Openeye Name: N-[1,1-dimethyl-3-[3-methyl-4-[4-[(6-methyl-3-pyridyl)oxy]anilino]-4H-quinazolin-6-yl]prop-2-ynyl]-2-hydroxy-acetamide CAS Name: 2-hydroxy-N-[2-methyl-4-[3-methyl-4-[4-[(6-methyl-3-pyridinyl)oxy]anilino]-4H-quinazolin-6-yl]but-3-yn-2-yl]acetamide IUPAC Name: 2-hydroxy-N-[2-methyl-4-[3-methyl-4-[4-(6-methylpyridin-3-yl)oxyanilino]-4H-quinazolin-6-yl]but-3-yn-2-yl]acetamide Traditional Name: N-[1,1-dimethyl-3-[3-methyl-4-[4-[(6-methyl-3-pyridyl)oxy]anilino]-4H-quinazolin-6-yl]prop-2-ynyl]-2-hydroxy-acetamide Formula: C28H29N5O3 MolecularWeight: 483.56156

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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#CC(C)(C)NC(=O)CO)N=CN3C

Isomeric SMILES

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

InChI

InChI=1S/C28H29N5O3/c1-19-5-9-23(16-29-19)36-22-10-7-21(8-11-22)31-27-24-15-20(6-12-25(24)30-18-33(27)4)13-14-28(2,3)32-26(35)17-34/h5-12,15-16,18,27,31,34H,17H2,1-4H3,(H,32,35)