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

Systemtic Name: N-(3-morpholin-4-ylpropyl)-4-oxidanylidene-2-[2-oxidanylidene-2-(phenethylamino)ethyl]sulfanyl-3-(oxolan-2-ylmethyl)quinazoline-7-carboxamide Openeye Name: N-(3-morpholinopropyl)-4-oxo-2-[2-oxo-2-(phenethylamino)ethyl]sulfanyl-3-(tetrahydrofuran-2-ylmethyl)quinazoline-7-carboxamide CAS Name: N-[3-(4-morpholinyl)propyl]-4-oxo-3-(2-oxolanylmethyl)-2-[[2-oxo-2-(phenethylamino)ethyl]thio]-7-quinazolinecarboxamide IUPAC Name: N-(3-morpholin-4-ylpropyl)-4-oxo-3-(oxolan-2-ylmethyl)-2-[2-oxo-2-(phenethylamino)ethyl]sulfanylquinazoline-7-carboxamide Traditional Name: 4-keto-2-[[2-keto-2-(phenethylamino)ethyl]thio]-N-(3-morpholinopropyl)-3-(tetrahydrofurfuryl)quinazoline-7-carboxamide Formula: C31H39N5O5S MolecularWeight: 593.73686

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CC(OC1)CN2C(=O)C3=C(C=C(C=C3)C(=O)NCCCN4CCOCC4)N=C2SCC(=O)NCCC5=CC=CC=C5

Isomeric SMILES

C1CC(OC1)CN2C(=O)C3=C(C=C(C=C3)C(=O)NCCCN4CCOCC4)N=C2SCC(=O)NCCC5=CC=CC=C5

InChI

InChI=1S/C31H39N5O5S/c37-28(32-13-11-23-6-2-1-3-7-23)22-42-31-34-27-20-24(29(38)33-12-5-14-35-15-18-40-19-16-35)9-10-26(27)30(39)36(31)21-25-8-4-17-41-25/h1-3,6-7,9-10,20,25H,4-5,8,11-19,21-22H2,(H,32,37)(H,33,38)