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

Systemtic Name: ethyl 6-[3-(1-adamantylcarbamoylamino)phenyl]-4-methyl-2-oxidanylidene-3-propyl-1,6-dihydropyrimidine-5-carboxylate Openeye Name: ethyl 6-[3-(1-adamantylcarbamoylamino)phenyl]-4-methyl-2-oxo-3-propyl-1,6-dihydropyrimidine-5-carboxylate CAS Name: 6-[3-[[(1-adamantylamino)-oxomethyl]amino]phenyl]-4-methyl-2-oxo-3-propyl-1,6-dihydropyrimidine-5-carboxylic acid ethyl ester IUPAC Name: ethyl 6-[3-(1-adamantylcarbamoylamino)phenyl]-4-methyl-2-oxo-3-propyl-1,6-dihydropyrimidine-5-carboxylate Traditional Name: 6-[3-(1-adamantylcarbamoylamino)phenyl]-2-keto-4-methyl-3-propyl-1,6-dihydropyrimidine-5-carboxylic acid ethyl ester Formula: C28H38N4O4 MolecularWeight: 494.62572

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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)C

Isomeric SMILES

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

InChI

InChI=1S/C28H38N4O4/c1-4-9-32-17(3)23(25(33)36-5-2)24(30-27(32)35)21-7-6-8-22(13-21)29-26(34)31-28-14-18-10-19(15-28)12-20(11-18)16-28/h6-8,13,18-20,24H,4-5,9-12,14-16H2,1-3H3,(H,30,35)(H2,29,31,34)