1-[4-azanyl-2,6-di(propan-2-yl)phenyl]-3-[1-butyl-2-oxidanylidene-4-[3-(3-oxidanylpropoxy)phenyl]-1,8-naphthyridin-3-yl]urea hydrate hydrochloride

Systemtic Name: 1-[4-azanyl-2,6-di(propan-2-yl)phenyl]-3-[1-butyl-2-oxidanylidene-4-[3-(3-oxidanylpropoxy)phenyl]-1,8-naphthyridin-3-yl]urea hydrate hydrochloride Openeye Name: 1-(4-amino-2,6-diisopropyl-phenyl)-3-[1-butyl-4-[3-(3-hydroxypropoxy)phenyl]-2-oxo-1,8-naphthyridin-3-yl]urea hydrate hydrochloride CAS Name: 1-[4-amino-2,6-di(propan-2-yl)phenyl]-3-[1-butyl-4-[3-(3-hydroxypropoxy)phenyl]-2-oxo-1,8-naphthyridin-3-yl]urea hydrate hydrochloride IUPAC Name: 1-[4-amino-2,6-di(propan-2-yl)phenyl]-3-[1-butyl-4-[3-(3-hydroxypropoxy)phenyl]-2-oxo-1,8-naphthyridin-3-yl]urea hydrate hydrochloride Traditional Name: 1-(4-amino-2,6-diisopropyl-phenyl)-3-[1-butyl-4-[3-(3-hydroxypropoxy)phenyl]-2-keto-1,8-naphthyridin-3-yl]urea hydrate hydrochloride Formula: C34H46ClN5O5 MolecularWeight: 640.21254

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCN1C2=C(C=CC=N2)C(=C(C1=O)NC(=O)NC3=C(C=C(C=C3C(C)C)N)C(C)C)C4=CC(=CC=C4)OCCCO.O.Cl

Isomeric SMILES

CCCCN1C2=C(C=CC=N2)C(=C(C1=O)NC(=O)NC3=C(C=C(C=C3C(C)C)N)C(C)C)C4=CC(=CC=C4)OCCCO.O.Cl

InChI

InChI=1S/C34H43N5O4.ClH.H2O/c1-6-7-15-39-32-26(13-9-14-36-32)29(23-11-8-12-25(18-23)43-17-10-16-40)31(33(39)41)38-34(42)37-30-27(21(2)3)19-24(35)20-28(30)22(4)5;;/h8-9,11-14,18-22,40H,6-7,10,15-17,35H2,1-5H3,(H2,37,38,42);1H;1H2