1-[2-[[4-azanylbutyl-[(3,5-dimethylpyridin-2-yl)methyl]amino]methyl]pyridin-3-yl]urea

Systemtic Name: 1-[2-[[4-azanylbutyl-[(3,5-dimethylpyridin-2-yl)methyl]amino]methyl]pyridin-3-yl]urea Openeye Name: [2-[[4-aminobutyl-[(3,5-dimethyl-2-pyridyl)methyl]amino]methyl]-3-pyridyl]urea CAS Name: [2-[[4-aminobutyl-[(3,5-dimethyl-2-pyridinyl)methyl]amino]methyl]-3-pyridinyl]urea IUPAC Name: [2-[[4-aminobutyl-[(3,5-dimethylpyridin-2-yl)methyl]amino]methyl]pyridin-3-yl]urea Traditional Name: [2-[[4-aminobutyl-[(3,5-dimethyl-2-pyridyl)methyl]amino]methyl]-3-pyridyl]urea Formula: C19H28N6O MolecularWeight: 356.46522

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(N=C1)CN(CCCCN)CC2=C(C=CC=N2)NC(=O)N)C

Isomeric SMILES

CC1=CC(=C(N=C1)CN(CCCCN)CC2=C(C=CC=N2)NC(=O)N)C

InChI

InChI=1S/C19H28N6O/c1-14-10-15(2)17(23-11-14)12-25(9-4-3-7-20)13-18-16(24-19(21)26)6-5-8-22-18/h5-6,8,10-11H,3-4,7,9,12-13,20H2,1-2H3,(H3,21,24,26)