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

Systemtic Name: 3-(1-adamantyl)-1-(6-azanylhexyl)-1-[1-(4-oxidanylidene-1H-quinazolin-2-yl)ethyl]urea Openeye Name: 3-(1-adamantyl)-1-(6-aminohexyl)-1-[1-(4-oxo-1H-quinazolin-2-yl)ethyl]urea CAS Name: 3-(1-adamantyl)-1-(6-aminohexyl)-1-[1-(4-oxo-1H-quinazolin-2-yl)ethyl]urea IUPAC Name: 3-(1-adamantyl)-1-(6-aminohexyl)-1-[1-(4-oxo-1H-quinazolin-2-yl)ethyl]urea Traditional Name: 3-(1-adamantyl)-1-(6-aminohexyl)-1-[1-(4-keto-1H-quinazolin-2-yl)ethyl]urea Formula: C27H39N5O2 MolecularWeight: 465.63086

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Descriptors Computed from Structure

Canonical SMILES:

CC(C1=NC(=O)C2=CC=CC=C2N1)N(CCCCCCN)C(=O)NC34CC5CC(C3)CC(C5)C4

Isomeric SMILES

CC(C1=NC(=O)C2=CC=CC=C2N1)N(CCCCCCN)C(=O)NC34CC5CC(C3)CC(C5)C4

InChI

InChI=1S/C27H39N5O2/c1-18(24-29-23-9-5-4-8-22(23)25(33)30-24)32(11-7-3-2-6-10-28)26(34)31-27-15-19-12-20(16-27)14-21(13-19)17-27/h4-5,8-9,18-21H,2-3,6-7,10-17,28H2,1H3,(H,31,34)(H,29,30,33)