butanedioic acid; 1-butyl-1-(2,6-diethylphenyl)-3-(N'-methylcarbamimidoyl)urea

Systemtic Name: butanedioic acid; 1-butyl-1-(2,6-diethylphenyl)-3-(N'-methylcarbamimidoyl)urea Openeye Name: 1-butyl-1-(2,6-diethylphenyl)-3-(N'-methylcarbamimidoyl)urea; succinic acid CAS Name: 3-[amino(methylimino)methyl]-1-butyl-1-(2,6-diethylphenyl)urea; butanedioic acid IUPAC Name: butanedioic acid; 1-butyl-1-(2,6-diethylphenyl)-3-(N'-methylcarbamimidoyl)urea Traditional Name: 1-butyl-1-(2,6-diethylphenyl)-3-(N'-methylamidino)urea; succinic acid Formula: C21H34N4O5 MolecularWeight: 422.51846

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN(C1=C(C=CC=C1CC)CC)C(=O)NC(=NC)N.C(CC(=O)O)C(=O)O

Isomeric SMILES

CCCCN(C1=C(C=CC=C1CC)CC)C(=O)NC(=NC)N.C(CC(=O)O)C(=O)O

InChI

InChI=1S/C17H28N4O.C4H6O4/c1-5-8-12-21(17(22)20-16(18)19-4)15-13(6-2)10-9-11-14(15)7-3;5-3(6)1-2-4(7)8/h9-11H,5-8,12H2,1-4H3,(H3,18,19,20,22);1-2H2,(H,5,6)(H,7,8)