3-[4-[(3-methyl-4-pyridin-3-yloxy-phenyl)amino]quinazolin-6-yl]prop-2-ynylcarbamic acid

Systemtic Name: 3-[4-[(3-methyl-4-pyridin-3-yloxy-phenyl)amino]quinazolin-6-yl]prop-2-ynylcarbamic acid Openeye Name: 3-[4-[3-methyl-4-(3-pyridyloxy)anilino]quinazolin-6-yl]prop-2-ynylcarbamic acid CAS Name: 3-[4-[3-methyl-4-(3-pyridinyloxy)anilino]-6-quinazolinyl]prop-2-ynylcarbamic acid IUPAC Name: 3-[4-(3-methyl-4-pyridin-3-yloxyanilino)quinazolin-6-yl]prop-2-ynylcarbamic acid Traditional Name: 3-[4-[3-methyl-4-(3-pyridyloxy)anilino]quinazolin-6-yl]prop-2-ynylcarbamic acid Formula: C24H19N5O3 MolecularWeight: 425.43936

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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)O)OC4=CN=CC=C4

Isomeric SMILES

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

InChI

InChI=1S/C24H19N5O3/c1-16-12-18(7-9-22(16)32-19-5-3-10-25-14-19)29-23-20-13-17(4-2-11-26-24(30)31)6-8-21(20)27-15-28-23/h3,5-10,12-15,26H,11H2,1H3,(H,30,31)(H,27,28,29)