1-butyl-1-methyl-3-(2-methyl-1-oxidanylidene-isoquinolin-4-yl)urea

Systemtic Name: 1-butyl-1-methyl-3-(2-methyl-1-oxidanylidene-isoquinolin-4-yl)urea Openeye Name: 1-butyl-1-methyl-3-(2-methyl-1-oxo-4-isoquinolyl)urea CAS Name: 1-butyl-1-methyl-3-(2-methyl-1-oxo-4-isoquinolinyl)urea IUPAC Name: 1-butyl-1-methyl-3-(2-methyl-1-oxoisoquinolin-4-yl)urea Traditional Name: 1-butyl-3-(1-keto-2-methyl-4-isoquinolyl)-1-methyl-urea Formula: C16H21N3O2 MolecularWeight: 287.35684

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN(C)C(=O)NC1=CN(C(=O)C2=CC=CC=C21)C

Isomeric SMILES

CCCCN(C)C(=O)NC1=CN(C(=O)C2=CC=CC=C21)C

InChI

InChI=1S/C16H21N3O2/c1-4-5-10-18(2)16(21)17-14-11-19(3)15(20)13-9-7-6-8-12(13)14/h6-9,11H,4-5,10H2,1-3H3,(H,17,21)