4-oxidanylidene-2-[2-oxidanylidene-2-(phenethylamino)ethyl]sulfanyl-N-(oxolan-2-ylmethyl)-3-prop-2-enyl-quinazoline-7-carboxamide

Systemtic Name: 4-oxidanylidene-2-[2-oxidanylidene-2-(phenethylamino)ethyl]sulfanyl-N-(oxolan-2-ylmethyl)-3-prop-2-enyl-quinazoline-7-carboxamide Openeye Name: 3-allyl-4-oxo-2-[2-oxo-2-(phenethylamino)ethyl]sulfanyl-N-(tetrahydrofuran-2-ylmethyl)quinazoline-7-carboxamide CAS Name: 4-oxo-N-(2-oxolanylmethyl)-2-[[2-oxo-2-(phenethylamino)ethyl]thio]-3-prop-2-enyl-7-quinazolinecarboxamide IUPAC Name: 4-oxo-N-(oxolan-2-ylmethyl)-2-[2-oxo-2-(phenethylamino)ethyl]sulfanyl-3-prop-2-enylquinazoline-7-carboxamide Traditional Name: 3-allyl-4-keto-2-[[2-keto-2-(phenethylamino)ethyl]thio]-N-(tetrahydrofurfuryl)quinazoline-7-carboxamide Formula: C27H30N4O4S MolecularWeight: 506.6165

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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)NCCC4=CC=CC=C4

Isomeric SMILES

C=CCN1C(=O)C2=C(C=C(C=C2)C(=O)NCC3CCCO3)N=C1SCC(=O)NCCC4=CC=CC=C4

InChI

InChI=1S/C27H30N4O4S/c1-2-14-31-26(34)22-11-10-20(25(33)29-17-21-9-6-15-35-21)16-23(22)30-27(31)36-18-24(32)28-13-12-19-7-4-3-5-8-19/h2-5,7-8,10-11,16,21H,1,6,9,12-15,17-18H2,(H,28,32)(H,29,33)