1-[4,7-dimethoxy-6-[2-(4-methylpiperazin-1-yl)ethoxy]-1-benzofuran-5-yl]-3-methyl-urea hydrate

Systemtic Name: 1-[4,7-dimethoxy-6-[2-(4-methylpiperazin-1-yl)ethoxy]-1-benzofuran-5-yl]-3-methyl-urea hydrate Openeye Name: 1-[4,7-dimethoxy-6-[2-(4-methylpiperazin-1-yl)ethoxy]benzofuran-5-yl]-3-methyl-urea hydrate CAS Name: 1-[4,7-dimethoxy-6-[2-(4-methyl-1-piperazinyl)ethoxy]-5-benzofuranyl]-3-methylurea hydrate IUPAC Name: 1-[4,7-dimethoxy-6-[2-(4-methylpiperazin-1-yl)ethoxy]-1-benzofuran-5-yl]-3-methylurea hydrate Traditional Name: 1-[4,7-dimethoxy-6-[2-(4-methylpiperazino)ethoxy]benzofuran-5-yl]-3-methyl-urea hydrate Formula: C19H30N4O6 MolecularWeight: 410.4647

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Descriptors Computed from Structure

Canonical SMILES:

CNC(=O)NC1=C(C2=C(C(=C1OCCN3CCN(CC3)C)OC)OC=C2)OC.O

Isomeric SMILES

CNC(=O)NC1=C(C2=C(C(=C1OCCN3CCN(CC3)C)OC)OC=C2)OC.O

InChI

InChI=1S/C19H28N4O5.H2O/c1-20-19(24)21-14-15(25-3)13-5-11-27-16(13)18(26-4)17(14)28-12-10-23-8-6-22(2)7-9-23;/h5,11H,6-10,12H2,1-4H3,(H2,20,21,24);1H2