N-[3-[4-[(3-methyl-4-pyrimidin-5-yloxy-phenyl)amino]quinazolin-6-yl]prop-2-ynyl]methanesulfonamide

Systemtic Name: N-[3-[4-[(3-methyl-4-pyrimidin-5-yloxy-phenyl)amino]quinazolin-6-yl]prop-2-ynyl]methanesulfonamide Openeye Name: N-[3-[4-(3-methyl-4-pyrimidin-5-yloxy-anilino)quinazolin-6-yl]prop-2-ynyl]methanesulfonamide CAS Name: N-[3-[4-[3-methyl-4-(5-pyrimidinyloxy)anilino]-6-quinazolinyl]prop-2-ynyl]methanesulfonamide IUPAC Name: N-[3-[4-(3-methyl-4-pyrimidin-5-yloxyanilino)quinazolin-6-yl]prop-2-ynyl]methanesulfonamide Traditional Name: N-[3-[4-[3-methyl-4-(5-pyrimidyloxy)anilino]quinazolin-6-yl]prop-2-ynyl]methanesulfonamide Formula: C23H20N6O3S MolecularWeight: 460.5083

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)NC2=NC=NC3=C2C=C(C=C3)C#CCNS(=O)(=O)C)OC4=CN=CN=C4

Isomeric SMILES

CC1=C(C=CC(=C1)NC2=NC=NC3=C2C=C(C=C3)C#CCNS(=O)(=O)C)OC4=CN=CN=C4

InChI

InChI=1S/C23H20N6O3S/c1-16-10-18(6-8-22(16)32-19-12-24-14-25-13-19)29-23-20-11-17(4-3-9-28-33(2,30)31)5-7-21(20)26-15-27-23/h5-8,10-15,28H,9H2,1-2H3,(H,26,27,29)