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

Systemtic Name: 2-[(3-nitrophenyl)methylsulfanyl]-4-oxidanylidene-N-(oxolan-2-ylmethyl)-3-pentyl-quinazoline-7-carboxamide Openeye Name: 2-[(3-nitrophenyl)methylsulfanyl]-4-oxo-3-pentyl-N-(tetrahydrofuran-2-ylmethyl)quinazoline-7-carboxamide CAS Name: 2-[(3-nitrophenyl)methylthio]-4-oxo-N-(2-oxolanylmethyl)-3-pentyl-7-quinazolinecarboxamide IUPAC Name: 2-[(3-nitrophenyl)methylsulfanyl]-4-oxo-N-(oxolan-2-ylmethyl)-3-pentylquinazoline-7-carboxamide Traditional Name: 3-amyl-4-keto-2-[(3-nitrobenzyl)thio]-N-(tetrahydrofurfuryl)quinazoline-7-carboxamide Formula: C26H30N4O5S MolecularWeight: 510.6052

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCN1C(=O)C2=C(C=C(C=C2)C(=O)NCC3CCCO3)N=C1SCC4=CC(=CC=C4)[N+](=O)[O-]

Isomeric SMILES

CCCCCN1C(=O)C2=C(C=C(C=C2)C(=O)NCC3CCCO3)N=C1SCC4=CC(=CC=C4)[N+](=O)[O-]

InChI

InChI=1S/C26H30N4O5S/c1-2-3-4-12-29-25(32)22-11-10-19(24(31)27-16-21-9-6-13-35-21)15-23(22)28-26(29)36-17-18-7-5-8-20(14-18)30(33)34/h5,7-8,10-11,14-15,21H,2-4,6,9,12-13,16-17H2,1H3,(H,27,31)