4-oxidanylidene-N-(oxolan-2-ylmethyl)-2-phenacylsulfanyl-3-prop-2-enyl-quinazoline-7-carboxamide

Systemtic Name: 4-oxidanylidene-N-(oxolan-2-ylmethyl)-2-phenacylsulfanyl-3-prop-2-enyl-quinazoline-7-carboxamide Openeye Name: 3-allyl-4-oxo-2-phenacylsulfanyl-N-(tetrahydrofuran-2-ylmethyl)quinazoline-7-carboxamide CAS Name: 4-oxo-N-(2-oxolanylmethyl)-2-(phenacylthio)-3-prop-2-enyl-7-quinazolinecarboxamide IUPAC Name: 4-oxo-N-(oxolan-2-ylmethyl)-2-phenacylsulfanyl-3-prop-2-enylquinazoline-7-carboxamide Traditional Name: 3-allyl-4-keto-2-(phenacylthio)-N-(tetrahydrofurfuryl)quinazoline-7-carboxamide Formula: C25H25N3O4S MolecularWeight: 463.5487

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Descriptors Computed from Structure

Canonical SMILES:

C=CCN1C(=O)C2=C(C=C(C=C2)C(=O)NCC3CCCO3)N=C1SCC(=O)C4=CC=CC=C4

Isomeric SMILES

C=CCN1C(=O)C2=C(C=C(C=C2)C(=O)NCC3CCCO3)N=C1SCC(=O)C4=CC=CC=C4

InChI

InChI=1S/C25H25N3O4S/c1-2-12-28-24(31)20-11-10-18(23(30)26-15-19-9-6-13-32-19)14-21(20)27-25(28)33-16-22(29)17-7-4-3-5-8-17/h2-5,7-8,10-11,14,19H,1,6,9,12-13,15-16H2,(H,26,30)