2-[(4-nitrophenyl)methylsulfanyl]-4-oxidanylidene-N,3-bis(oxolan-2-ylmethyl)quinazoline-7-carboxamide

Systemtic Name: 2-[(4-nitrophenyl)methylsulfanyl]-4-oxidanylidene-N,3-bis(oxolan-2-ylmethyl)quinazoline-7-carboxamide Openeye Name: 2-[(4-nitrophenyl)methylsulfanyl]-4-oxo-N,3-bis(tetrahydrofuran-2-ylmethyl)quinazoline-7-carboxamide CAS Name: 2-[(4-nitrophenyl)methylthio]-4-oxo-N,3-bis(2-oxolanylmethyl)-7-quinazolinecarboxamide IUPAC Name: 2-[(4-nitrophenyl)methylsulfanyl]-4-oxo-N,3-bis(oxolan-2-ylmethyl)quinazoline-7-carboxamide Traditional Name: 4-keto-2-[(4-nitrobenzyl)thio]-N,3-bis(tetrahydrofurfuryl)quinazoline-7-carboxamide Formula: C26H28N4O6S MolecularWeight: 524.58872

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CC(OC1)CNC(=O)C2=CC3=C(C=C2)C(=O)N(C(=N3)SCC4=CC=C(C=C4)[N+](=O)[O-])CC5CCCO5

Isomeric SMILES

C1CC(OC1)CNC(=O)C2=CC3=C(C=C2)C(=O)N(C(=N3)SCC4=CC=C(C=C4)[N+](=O)[O-])CC5CCCO5

InChI

InChI=1S/C26H28N4O6S/c31-24(27-14-20-3-1-11-35-20)18-7-10-22-23(13-18)28-26(29(25(22)32)15-21-4-2-12-36-21)37-16-17-5-8-19(9-6-17)30(33)34/h5-10,13,20-21H,1-4,11-12,14-16H2,(H,27,31)