3-[6,7-bis(azanyl)-4-oxidanylidene-1H-quinazolin-2-yl]-N-[2-(1H-imidazol-5-yl)ethyl]-4-propoxy-benzenesulfonamide

Systemtic Name: 3-[6,7-bis(azanyl)-4-oxidanylidene-1H-quinazolin-2-yl]-N-[2-(1H-imidazol-5-yl)ethyl]-4-propoxy-benzenesulfonamide Openeye Name: 3-(6,7-diamino-4-oxo-1H-quinazolin-2-yl)-N-[2-(1H-imidazol-5-yl)ethyl]-4-propoxy-benzenesulfonamide CAS Name: 3-(6,7-diamino-4-oxo-1H-quinazolin-2-yl)-N-[2-(1H-imidazol-5-yl)ethyl]-4-propoxybenzenesulfonamide IUPAC Name: 3-(6,7-diamino-4-oxo-1H-quinazolin-2-yl)-N-[2-(1H-imidazol-5-yl)ethyl]-4-propoxybenzenesulfonamide Traditional Name: 3-(6,7-diamino-4-keto-1H-quinazolin-2-yl)-N-[2-(1H-imidazol-5-yl)ethyl]-4-propoxy-benzenesulfonamide Formula: C22H25N7O4S MolecularWeight: 483.5434

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCOC1=C(C=C(C=C1)S(=O)(=O)NCCC2=CN=CN2)C3=NC(=O)C4=CC(=C(C=C4N3)N)N

Isomeric SMILES

CCCOC1=C(C=C(C=C1)S(=O)(=O)NCCC2=CN=CN2)C3=NC(=O)C4=CC(=C(C=C4N3)N)N

InChI

InChI=1S/C22H25N7O4S/c1-2-7-33-20-4-3-14(34(31,32)27-6-5-13-11-25-12-26-13)8-16(20)21-28-19-10-18(24)17(23)9-15(19)22(30)29-21/h3-4,8-12,27H,2,5-7,23-24H2,1H3,(H,25,26)(H,28,29,30)