1-methyl-3-[4-(3-methylbutylamino)phenyl]urea

Systemtic Name: 1-methyl-3-[4-(3-methylbutylamino)phenyl]urea Openeye Name: 1-[4-(isopentylamino)phenyl]-3-methyl-urea CAS Name: 1-methyl-3-[4-(3-methylbutylamino)phenyl]urea IUPAC Name: 1-methyl-3-[4-(3-methylbutylamino)phenyl]urea Traditional Name: 1-[4-(isoamylamino)phenyl]-3-methyl-urea Formula: C13H21N3O MolecularWeight: 235.32534

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CCNC1=CC=C(C=C1)NC(=O)NC

Isomeric SMILES

CC(C)CCNC1=CC=C(C=C1)NC(=O)NC

InChI

InChI=1S/C13H21N3O/c1-10(2)8-9-15-11-4-6-12(7-5-11)16-13(17)14-3/h4-7,10,15H,8-9H2,1-3H3,(H2,14,16,17)