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

Systemtic Name: 1-(6-azanylhexyl)-3-tert-butyl-1-[1-(4-oxidanylidene-1H-quinazolin-2-yl)ethyl]urea Openeye Name: 1-(6-aminohexyl)-3-tert-butyl-1-[1-(4-oxo-1H-quinazolin-2-yl)ethyl]urea CAS Name: 1-(6-aminohexyl)-3-tert-butyl-1-[1-(4-oxo-1H-quinazolin-2-yl)ethyl]urea IUPAC Name: 1-(6-aminohexyl)-3-tert-butyl-1-[1-(4-oxo-1H-quinazolin-2-yl)ethyl]urea Traditional Name: 1-(6-aminohexyl)-3-tert-butyl-1-[1-(4-keto-1H-quinazolin-2-yl)ethyl]urea Formula: C21H33N5O2 MolecularWeight: 387.51902

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Descriptors Computed from Structure

Canonical SMILES:

CC(C1=NC(=O)C2=CC=CC=C2N1)N(CCCCCCN)C(=O)NC(C)(C)C

Isomeric SMILES

CC(C1=NC(=O)C2=CC=CC=C2N1)N(CCCCCCN)C(=O)NC(C)(C)C

InChI

InChI=1S/C21H33N5O2/c1-15(18-23-17-12-8-7-11-16(17)19(27)24-18)26(14-10-6-5-9-13-22)20(28)25-21(2,3)4/h7-8,11-12,15H,5-6,9-10,13-14,22H2,1-4H3,(H,25,28)(H,23,24,27)