(phenylmethyl) 2-[2-azanyl-7-[5-(dihexylamino)-5-oxidanylidene-pentoxy]-4H-quinazolin-3-yl]ethanoate

Systemtic Name: (phenylmethyl) 2-[2-azanyl-7-[5-(dihexylamino)-5-oxidanylidene-pentoxy]-4H-quinazolin-3-yl]ethanoate Openeye Name: benzyl 2-[2-amino-7-[5-(dihexylamino)-5-oxo-pentoxy]-4H-quinazolin-3-yl]acetate CAS Name: 2-[2-amino-7-[5-(dihexylamino)-5-oxopentoxy]-4H-quinazolin-3-yl]acetic acid (phenylmethyl) ester IUPAC Name: benzyl 2-[2-amino-7-[5-(dihexylamino)-5-oxopentoxy]-4H-quinazolin-3-yl]acetate Traditional Name: 2-[2-amino-7-[5-(dihexylamino)-5-keto-pentoxy]-4H-quinazolin-3-yl]acetic acid benzyl ester Formula: C34H50N4O4 MolecularWeight: 578.7852

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCN(CCCCCC)C(=O)CCCCOC1=CC2=C(CN(C(=N2)N)CC(=O)OCC3=CC=CC=C3)C=C1

Isomeric SMILES

CCCCCCN(CCCCCC)C(=O)CCCCOC1=CC2=C(CN(C(=N2)N)CC(=O)OCC3=CC=CC=C3)C=C1

InChI

InChI=1S/C34H50N4O4/c1-3-5-7-13-21-37(22-14-8-6-4-2)32(39)18-12-15-23-41-30-20-19-29-25-38(34(35)36-31(29)24-30)26-33(40)42-27-28-16-10-9-11-17-28/h9-11,16-17,19-20,24H,3-8,12-15,18,21-23,25-27H2,1-2H3,(H2,35,36)