ethyl 6-[3-(1-adamantylcarbamoylamino)phenyl]-2-oxidanylidene-4-phenyl-3-propyl-1,6-dihydropyrimidine-5-carboxylate

Systemtic Name: ethyl 6-[3-(1-adamantylcarbamoylamino)phenyl]-2-oxidanylidene-4-phenyl-3-propyl-1,6-dihydropyrimidine-5-carboxylate Openeye Name: ethyl 6-[3-(1-adamantylcarbamoylamino)phenyl]-2-oxo-4-phenyl-3-propyl-1,6-dihydropyrimidine-5-carboxylate CAS Name: 6-[3-[[(1-adamantylamino)-oxomethyl]amino]phenyl]-2-oxo-4-phenyl-3-propyl-1,6-dihydropyrimidine-5-carboxylic acid ethyl ester IUPAC Name: ethyl 6-[3-(1-adamantylcarbamoylamino)phenyl]-2-oxo-4-phenyl-3-propyl-1,6-dihydropyrimidine-5-carboxylate Traditional Name: 6-[3-(1-adamantylcarbamoylamino)phenyl]-2-keto-4-phenyl-3-propyl-1,6-dihydropyrimidine-5-carboxylic acid ethyl ester Formula: C33H40N4O4 MolecularWeight: 556.6951

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Descriptors Computed from Structure

Canonical SMILES:

CCCN1C(=C(C(NC1=O)C2=CC(=CC=C2)NC(=O)NC34CC5CC(C3)CC(C5)C4)C(=O)OCC)C6=CC=CC=C6

Isomeric SMILES

CCCN1C(=C(C(NC1=O)C2=CC(=CC=C2)NC(=O)NC34CC5CC(C3)CC(C5)C4)C(=O)OCC)C6=CC=CC=C6

InChI

InChI=1S/C33H40N4O4/c1-3-13-37-29(24-9-6-5-7-10-24)27(30(38)41-4-2)28(35-32(37)40)25-11-8-12-26(17-25)34-31(39)36-33-18-21-14-22(19-33)16-23(15-21)20-33/h5-12,17,21-23,28H,3-4,13-16,18-20H2,1-2H3,(H,35,40)(H2,34,36,39)