2-[4-[(3-chloranyl-4-pyridin-2-ylsulfanyl-phenyl)amino]-7-(3-morpholin-4-ylpropoxy)quinazolin-6-yl]prop-2-enoate

Systemtic Name: 2-[4-[(3-chloranyl-4-pyridin-2-ylsulfanyl-phenyl)amino]-7-(3-morpholin-4-ylpropoxy)quinazolin-6-yl]prop-2-enoate Openeye Name: 2-[4-[3-chloro-4-(2-pyridylsulfanyl)anilino]-7-(3-morpholinopropoxy)quinazolin-6-yl]prop-2-enoate CAS Name: 2-[4-[3-chloro-4-(2-pyridinylthio)anilino]-7-[3-(4-morpholinyl)propoxy]-6-quinazolinyl]-2-propenoate IUPAC Name: 2-[4-(3-chloro-4-pyridin-2-ylsulfanylanilino)-7-(3-morpholin-4-ylpropoxy)quinazolin-6-yl]prop-2-enoate Traditional Name: 2-[4-[3-chloro-4-(2-pyridylthio)anilino]-7-(3-morpholinopropoxy)quinazolin-6-yl]acrylate Formula: C29H27ClN5O4S- MolecularWeight: 577.07378

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Descriptors Computed from Structure

Canonical SMILES:

C=C(C1=C(C=C2C(=C1)C(=NC=N2)NC3=CC(=C(C=C3)SC4=CC=CC=N4)Cl)OCCCN5CCOCC5)C(=O)[O-]

Isomeric SMILES

C=C(C1=C(C=C2C(=C1)C(=NC=N2)NC3=CC(=C(C=C3)SC4=CC=CC=N4)Cl)OCCCN5CCOCC5)C(=O)[O-]

InChI

InChI=1S/C29H28ClN5O4S/c1-19(29(36)37)21-16-22-24(17-25(21)39-12-4-9-35-10-13-38-14-11-35)32-18-33-28(22)34-20-6-7-26(23(30)15-20)40-27-5-2-3-8-31-27/h2-3,5-8,15-18H,1,4,9-14H2,(H,36,37)(H,32,33,34)/p-1