3-(1-adamantyl)-1-ethyl-1-[1-[3-(4-ethylphenyl)-4-oxidanylidene-quinazolin-2-yl]ethyl]urea

Systemtic Name: 3-(1-adamantyl)-1-ethyl-1-[1-[3-(4-ethylphenyl)-4-oxidanylidene-quinazolin-2-yl]ethyl]urea Openeye Name: 3-(1-adamantyl)-1-ethyl-1-[1-[3-(4-ethylphenyl)-4-oxo-quinazolin-2-yl]ethyl]urea CAS Name: 3-(1-adamantyl)-1-ethyl-1-[1-[3-(4-ethylphenyl)-4-oxo-2-quinazolinyl]ethyl]urea IUPAC Name: 3-(1-adamantyl)-1-ethyl-1-[1-[3-(4-ethylphenyl)-4-oxoquinazolin-2-yl]ethyl]urea Traditional Name: 3-(1-adamantyl)-1-ethyl-1-[1-[3-(4-ethylphenyl)-4-keto-quinazolin-2-yl]ethyl]urea Formula: C31H38N4O2 MolecularWeight: 498.65902

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=C(C=C1)N2C(=O)C3=CC=CC=C3N=C2C(C)N(CC)C(=O)NC45CC6CC(C4)CC(C6)C5

Isomeric SMILES

CCC1=CC=C(C=C1)N2C(=O)C3=CC=CC=C3N=C2C(C)N(CC)C(=O)NC45CC6CC(C4)CC(C6)C5

InChI

InChI=1S/C31H38N4O2/c1-4-21-10-12-25(13-11-21)35-28(32-27-9-7-6-8-26(27)29(35)36)20(3)34(5-2)30(37)33-31-17-22-14-23(18-31)16-24(15-22)19-31/h6-13,20,22-24H,4-5,14-19H2,1-3H3,(H,33,37)