1-heptan-2-yl-3-[3-(1-methyl-1,2,3,4-tetrazol-5-yl)phenyl]urea

Systemtic Name: 1-heptan-2-yl-3-[3-(1-methyl-1,2,3,4-tetrazol-5-yl)phenyl]urea Openeye Name: 1-(1-methylhexyl)-3-[3-(1-methyltetrazol-5-yl)phenyl]urea CAS Name: 1-heptan-2-yl-3-[3-(1-methyl-5-tetrazolyl)phenyl]urea IUPAC Name: 1-heptan-2-yl-3-[3-(1-methyltetrazol-5-yl)phenyl]urea Traditional Name: 1-(1-methylhexyl)-3-[3-(1-methyltetrazol-5-yl)phenyl]urea Formula: C16H24N6O MolecularWeight: 316.40136

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCC(C)NC(=O)NC1=CC=CC(=C1)C2=NN=NN2C

Isomeric SMILES

CCCCCC(C)NC(=O)NC1=CC=CC(=C1)C2=NN=NN2C

InChI

InChI=1S/C16H24N6O/c1-4-5-6-8-12(2)17-16(23)18-14-10-7-9-13(11-14)15-19-20-21-22(15)3/h7,9-12H,4-6,8H2,1-3H3,(H2,17,18,23)