N-[3-[4-[(5-methyl-6-phenoxy-pyridin-3-yl)amino]quinazolin-6-yl]prop-2-ynyl]-2-oxidanylidene-propanamide

Systemtic Name: N-[3-[4-[(5-methyl-6-phenoxy-pyridin-3-yl)amino]quinazolin-6-yl]prop-2-ynyl]-2-oxidanylidene-propanamide Openeye Name: N-[3-[4-[(5-methyl-6-phenoxy-3-pyridyl)amino]quinazolin-6-yl]prop-2-ynyl]-2-oxo-propanamide CAS Name: N-[3-[4-[(5-methyl-6-phenoxy-3-pyridinyl)amino]-6-quinazolinyl]prop-2-ynyl]-2-oxopropanamide IUPAC Name: N-[3-[4-[(5-methyl-6-phenoxypyridin-3-yl)amino]quinazolin-6-yl]prop-2-ynyl]-2-oxopropanamide Traditional Name: 2-keto-N-[3-[4-[(5-methyl-6-phenoxy-3-pyridyl)amino]quinazolin-6-yl]prop-2-ynyl]propionamide Formula: C26H21N5O3 MolecularWeight: 451.47664

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CN=C1OC2=CC=CC=C2)NC3=NC=NC4=C3C=C(C=C4)C#CCNC(=O)C(=O)C

Isomeric SMILES

CC1=CC(=CN=C1OC2=CC=CC=C2)NC3=NC=NC4=C3C=C(C=C4)C#CCNC(=O)C(=O)C

InChI

InChI=1S/C26H21N5O3/c1-17-13-20(15-28-26(17)34-21-8-4-3-5-9-21)31-24-22-14-19(10-11-23(22)29-16-30-24)7-6-12-27-25(33)18(2)32/h3-5,8-11,13-16H,12H2,1-2H3,(H,27,33)(H,29,30,31)