3-(1-adamantyl)-1-(6-azanylhexyl)-1-[1-(7-chloranyl-3-methyl-4-oxidanylidene-quinazolin-2-yl)ethyl]urea

Systemtic Name: 3-(1-adamantyl)-1-(6-azanylhexyl)-1-[1-(7-chloranyl-3-methyl-4-oxidanylidene-quinazolin-2-yl)ethyl]urea Openeye Name: 3-(1-adamantyl)-1-(6-aminohexyl)-1-[1-(7-chloro-3-methyl-4-oxo-quinazolin-2-yl)ethyl]urea CAS Name: 3-(1-adamantyl)-1-(6-aminohexyl)-1-[1-(7-chloro-3-methyl-4-oxo-2-quinazolinyl)ethyl]urea IUPAC Name: 3-(1-adamantyl)-1-(6-aminohexyl)-1-[1-(7-chloro-3-methyl-4-oxoquinazolin-2-yl)ethyl]urea Traditional Name: 3-(1-adamantyl)-1-(6-aminohexyl)-1-[1-(7-chloro-4-keto-3-methyl-quinazolin-2-yl)ethyl]urea Formula: C28H40ClN5O2 MolecularWeight: 514.1025

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Descriptors Computed from Structure

Canonical SMILES:

CC(C1=NC2=C(C=CC(=C2)Cl)C(=O)N1C)N(CCCCCCN)C(=O)NC34CC5CC(C3)CC(C5)C4

Isomeric SMILES

CC(C1=NC2=C(C=CC(=C2)Cl)C(=O)N1C)N(CCCCCCN)C(=O)NC34CC5CC(C3)CC(C5)C4

InChI

InChI=1S/C28H40ClN5O2/c1-18(25-31-24-14-22(29)7-8-23(24)26(35)33(25)2)34(10-6-4-3-5-9-30)27(36)32-28-15-19-11-20(16-28)13-21(12-19)17-28/h7-8,14,18-21H,3-6,9-13,15-17,30H2,1-2H3,(H,32,36)