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

Systemtic Name: 2-methoxy-N-[3-[4-[(3-methyl-4-pyrimidin-5-yloxy-phenyl)amino]quinazolin-6-yl]prop-2-ynyl]ethanamide Openeye Name: 2-methoxy-N-[3-[4-(3-methyl-4-pyrimidin-5-yloxy-anilino)quinazolin-6-yl]prop-2-ynyl]acetamide CAS Name: 2-methoxy-N-[3-[4-[3-methyl-4-(5-pyrimidinyloxy)anilino]-6-quinazolinyl]prop-2-ynyl]acetamide IUPAC Name: 2-methoxy-N-[3-[4-(3-methyl-4-pyrimidin-5-yloxyanilino)quinazolin-6-yl]prop-2-ynyl]acetamide Traditional Name: 2-methoxy-N-[3-[4-[3-methyl-4-(5-pyrimidyloxy)anilino]quinazolin-6-yl]prop-2-ynyl]acetamide Formula: C25H22N6O3 MolecularWeight: 454.48058

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C25H22N6O3/c1-17-10-19(6-8-23(17)34-20-12-26-15-27-13-20)31-25-21-11-18(5-7-22(21)29-16-30-25)4-3-9-28-24(32)14-33-2/h5-8,10-13,15-16H,9,14H2,1-2H3,(H,28,32)(H,29,30,31)