N-[4-[(6,7-dimethoxyquinazolin-4-yl)amino]phenyl]hex-5-ynamide

Systemtic Name: N-[4-[(6,7-dimethoxyquinazolin-4-yl)amino]phenyl]hex-5-ynamide Openeye Name: N-[4-[(6,7-dimethoxyquinazolin-4-yl)amino]phenyl]hex-5-ynamide CAS Name: N-[4-[(6,7-dimethoxy-4-quinazolinyl)amino]phenyl]-5-hexynamide IUPAC Name: N-[4-[(6,7-dimethoxyquinazolin-4-yl)amino]phenyl]hex-5-ynamide Traditional Name: N-[4-[(6,7-dimethoxyquinazolin-4-yl)amino]phenyl]hex-5-ynamide Formula: C22H22N4O3 MolecularWeight: 390.43508

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C2C(=C1)C(=NC=N2)NC3=CC=C(C=C3)NC(=O)CCCC#C)OC

Isomeric SMILES

COC1=C(C=C2C(=C1)C(=NC=N2)NC3=CC=C(C=C3)NC(=O)CCCC#C)OC

InChI

InChI=1S/C22H22N4O3/c1-4-5-6-7-21(27)25-15-8-10-16(11-9-15)26-22-17-12-19(28-2)20(29-3)13-18(17)23-14-24-22/h1,8-14H,5-7H2,2-3H3,(H,25,27)(H,23,24,26)