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

Systemtic Name: 3-[4-[(3-chloranyl-4-pyridin-3-yloxy-phenyl)amino]quinazolin-6-yl]prop-2-ynylsulfanylcarbamic acid Openeye Name: 3-[4-[3-chloro-4-(3-pyridyloxy)anilino]quinazolin-6-yl]prop-2-ynylsulfanylcarbamic acid CAS Name: [3-[4-[3-chloro-4-(3-pyridinyloxy)anilino]-6-quinazolinyl]prop-2-ynylthio]carbamic acid IUPAC Name: 3-[4-(3-chloro-4-pyridin-3-yloxyanilino)quinazolin-6-yl]prop-2-ynylsulfanylcarbamic acid Traditional Name: [3-[4-[3-chloro-4-(3-pyridyloxy)anilino]quinazolin-6-yl]prop-2-ynylthio]carbamic acid Formula: C23H16ClN5O3S MolecularWeight: 477.92284

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CN=C1)OC2=C(C=C(C=C2)NC3=NC=NC4=C3C=C(C=C4)C#CCSNC(=O)O)Cl

Isomeric SMILES

C1=CC(=CN=C1)OC2=C(C=C(C=C2)NC3=NC=NC4=C3C=C(C=C4)C#CCSNC(=O)O)Cl

InChI

InChI=1S/C23H16ClN5O3S/c24-19-12-16(6-8-21(19)32-17-4-1-9-25-13-17)28-22-18-11-15(3-2-10-33-29-23(30)31)5-7-20(18)26-14-27-22/h1,4-9,11-14,29H,10H2,(H,30,31)(H,26,27,28)