N-(3-morpholin-4-ylpropyl)-4-oxidanylidene-3-(oxolan-2-ylmethyl)-2-phenacylsulfanyl-quinazoline-7-carboxamide

Systemtic Name: N-(3-morpholin-4-ylpropyl)-4-oxidanylidene-3-(oxolan-2-ylmethyl)-2-phenacylsulfanyl-quinazoline-7-carboxamide Openeye Name: N-(3-morpholinopropyl)-4-oxo-2-phenacylsulfanyl-3-(tetrahydrofuran-2-ylmethyl)quinazoline-7-carboxamide CAS Name: N-[3-(4-morpholinyl)propyl]-4-oxo-3-(2-oxolanylmethyl)-2-(phenacylthio)-7-quinazolinecarboxamide IUPAC Name: N-(3-morpholin-4-ylpropyl)-4-oxo-3-(oxolan-2-ylmethyl)-2-phenacylsulfanylquinazoline-7-carboxamide Traditional Name: 4-keto-N-(3-morpholinopropyl)-2-(phenacylthio)-3-(tetrahydrofurfuryl)quinazoline-7-carboxamide Formula: C29H34N4O5S MolecularWeight: 550.66906

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(OC1)CN2C(=O)C3=C(C=C(C=C3)C(=O)NCCCN4CCOCC4)N=C2SCC(=O)C5=CC=CC=C5

Isomeric SMILES

C1CC(OC1)CN2C(=O)C3=C(C=C(C=C3)C(=O)NCCCN4CCOCC4)N=C2SCC(=O)C5=CC=CC=C5

InChI

InChI=1S/C29H34N4O5S/c34-26(21-6-2-1-3-7-21)20-39-29-31-25-18-22(27(35)30-11-5-12-32-13-16-37-17-14-32)9-10-24(25)28(36)33(29)19-23-8-4-15-38-23/h1-3,6-7,9-10,18,23H,4-5,8,11-17,19-20H2,(H,30,35)