1-(6-azanylhexyl)-3-(2-methylphenyl)-1-[1-(4-oxidanylidene-1H-quinazolin-2-yl)ethyl]urea

Systemtic Name: 1-(6-azanylhexyl)-3-(2-methylphenyl)-1-[1-(4-oxidanylidene-1H-quinazolin-2-yl)ethyl]urea Openeye Name: 1-(6-aminohexyl)-3-(o-tolyl)-1-[1-(4-oxo-1H-quinazolin-2-yl)ethyl]urea CAS Name: 1-(6-aminohexyl)-3-(2-methylphenyl)-1-[1-(4-oxo-1H-quinazolin-2-yl)ethyl]urea IUPAC Name: 1-(6-aminohexyl)-3-(2-methylphenyl)-1-[1-(4-oxo-1H-quinazolin-2-yl)ethyl]urea Traditional Name: 1-(6-aminohexyl)-1-[1-(4-keto-1H-quinazolin-2-yl)ethyl]-3-(o-tolyl)urea Formula: C24H31N5O2 MolecularWeight: 421.53524

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1NC(=O)N(CCCCCCN)C(C)C2=NC(=O)C3=CC=CC=C3N2

Isomeric SMILES

CC1=CC=CC=C1NC(=O)N(CCCCCCN)C(C)C2=NC(=O)C3=CC=CC=C3N2

InChI

InChI=1S/C24H31N5O2/c1-17-11-5-7-13-20(17)27-24(31)29(16-10-4-3-9-15-25)18(2)22-26-21-14-8-6-12-19(21)23(30)28-22/h5-8,11-14,18H,3-4,9-10,15-16,25H2,1-2H3,(H,27,31)(H,26,28,30)