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1-[N'-hexyl-N-(4-methoxyphenyl)carbamimidoyl]-3-phenyl-urea hydrate

1-[N'-hexyl-N-(4-methoxyphenyl)carbamimidoyl]-3-phenyl-urea hydrate

Systemtic Name:1-[N'-hexyl-N-(4-methoxyphenyl)carbamimidoyl]-3-phenyl-urea hydrate
Openeye Name:1-[N'-hexyl-N-(4-methoxyphenyl)carbamimidoyl]-3-phenyl-urea hydrate
CAS Name:1-[hexylimino-(4-methoxyanilino)methyl]-3-phenylurea hydrate
IUPAC Name:1-[N'-hexyl-N-(4-methoxyphenyl)carbamimidoyl]-3-phenylurea hydrate
Traditional Name:1-[N'-hexyl-N-(4-methoxyphenyl)amidino]-3-phenyl-urea hydrate
Formula: C21H30N4O3
MolecularWeight: 386.4879
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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCN=C(NC1=CC=C(C=C1)OC)NC(=O)NC2=CC=CC=C2.O


Isomeric SMILES

CCCCCCN=C(NC1=CC=C(C=C1)OC)NC(=O)NC2=CC=CC=C2.O


InChI

InChI=1S/C21H28N4O2.H2O/c1-3-4-5-9-16-22-20(23-18-12-14-19(27-2)15-13-18)25-21(26)24-17-10-7-6-8-11-17;/h6-8,10-15H,3-5,9,16H2,1-2H3,(H3,22,23,24,25,26);1H2


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