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

Systemtic Name: N-[3-[3-methyl-4-[(4-pyridin-3-yloxyphenyl)amino]-4H-quinazolin-6-yl]prop-2-ynyl]-2-methylsulfonyl-ethanamide Openeye Name: N-[3-[3-methyl-4-[4-(3-pyridyloxy)anilino]-4H-quinazolin-6-yl]prop-2-ynyl]-2-methylsulfonyl-acetamide CAS Name: N-[3-[3-methyl-4-[4-(3-pyridinyloxy)anilino]-4H-quinazolin-6-yl]prop-2-ynyl]-2-methylsulfonylacetamide IUPAC Name: N-[3-[3-methyl-4-(4-pyridin-3-yloxyanilino)-4H-quinazolin-6-yl]prop-2-ynyl]-2-methylsulfonylacetamide Traditional Name: 2-mesyl-N-[3-[3-methyl-4-[4-(3-pyridyloxy)anilino]-4H-quinazolin-6-yl]prop-2-ynyl]acetamide Formula: C26H25N5O4S MolecularWeight: 503.5728

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Descriptors Computed from Structure

Canonical SMILES:

CN1C=NC2=C(C1NC3=CC=C(C=C3)OC4=CN=CC=C4)C=C(C=C2)C#CCNC(=O)CS(=O)(=O)C

Isomeric SMILES

CN1C=NC2=C(C1NC3=CC=C(C=C3)OC4=CN=CC=C4)C=C(C=C2)C#CCNC(=O)CS(=O)(=O)C

InChI

InChI=1S/C26H25N5O4S/c1-31-18-29-24-12-7-19(5-3-14-28-25(32)17-36(2,33)34)15-23(24)26(31)30-20-8-10-21(11-9-20)35-22-6-4-13-27-16-22/h4,6-13,15-16,18,26,30H,14,17H2,1-2H3,(H,28,32)