3-[(2-methylphenyl)methyl]-5-(propanoylamino)imidazole-4-carboxamide

Systemtic Name: 3-[(2-methylphenyl)methyl]-5-(propanoylamino)imidazole-4-carboxamide Openeye Name: 3-(o-tolylmethyl)-5-(propanoylamino)imidazole-4-carboxamide CAS Name: 3-[(2-methylphenyl)methyl]-5-(1-oxopropylamino)-4-imidazolecarboxamide IUPAC Name: 3-[(2-methylphenyl)methyl]-5-(propanoylamino)imidazole-4-carboxamide Traditional Name: 3-(2-methylbenzyl)-5-propionamido-imidazole-4-carboxamide Formula: C15H18N4O2 MolecularWeight: 286.32902

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Descriptors Computed from Structure

Canonical SMILES:

CCC(=O)NC1=C(N(C=N1)CC2=CC=CC=C2C)C(=O)N

Isomeric SMILES

CCC(=O)NC1=C(N(C=N1)CC2=CC=CC=C2C)C(=O)N

InChI

InChI=1S/C15H18N4O2/c1-3-12(20)18-15-13(14(16)21)19(9-17-15)8-11-7-5-4-6-10(11)2/h4-7,9H,3,8H2,1-2H3,(H2,16,21)(H,18,20)