3-(1-adamantyl)-1-butyl-1-[1-[3-(4-chloranyl-2-methyl-phenyl)-4-oxidanylidene-quinazolin-2-yl]propyl]urea

Systemtic Name: 3-(1-adamantyl)-1-butyl-1-[1-[3-(4-chloranyl-2-methyl-phenyl)-4-oxidanylidene-quinazolin-2-yl]propyl]urea Openeye Name: 3-(1-adamantyl)-1-butyl-1-[1-[3-(4-chloro-2-methyl-phenyl)-4-oxo-quinazolin-2-yl]propyl]urea CAS Name: 3-(1-adamantyl)-1-butyl-1-[1-[3-(4-chloro-2-methylphenyl)-4-oxo-2-quinazolinyl]propyl]urea IUPAC Name: 3-(1-adamantyl)-1-butyl-1-[1-[3-(4-chloro-2-methylphenyl)-4-oxoquinazolin-2-yl]propyl]urea Traditional Name: 3-(1-adamantyl)-1-butyl-1-[1-[3-(4-chloro-2-methyl-phenyl)-4-keto-quinazolin-2-yl]propyl]urea Formula: C33H41ClN4O2 MolecularWeight: 561.15724

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN(C(CC)C1=NC2=CC=CC=C2C(=O)N1C3=C(C=C(C=C3)Cl)C)C(=O)NC45CC6CC(C4)CC(C6)C5

Isomeric SMILES

CCCCN(C(CC)C1=NC2=CC=CC=C2C(=O)N1C3=C(C=C(C=C3)Cl)C)C(=O)NC45CC6CC(C4)CC(C6)C5

InChI

InChI=1S/C33H41ClN4O2/c1-4-6-13-37(32(40)36-33-18-22-15-23(19-33)17-24(16-22)20-33)28(5-2)30-35-27-10-8-7-9-26(27)31(39)38(30)29-12-11-25(34)14-21(29)3/h7-12,14,22-24,28H,4-6,13,15-20H2,1-3H3,(H,36,40)