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

Systemtic Name: 2-methylpropyl 6-[4-(1-adamantylcarbonylamino)phenyl]-4-methyl-2-oxidanylidene-3-propyl-1,6-dihydropyrimidine-5-carboxylate Openeye Name: isobutyl 6-[4-(adamantane-1-carbonylamino)phenyl]-4-methyl-2-oxo-3-propyl-1,6-dihydropyrimidine-5-carboxylate CAS Name: 6-[4-[[1-adamantyl(oxo)methyl]amino]phenyl]-4-methyl-2-oxo-3-propyl-1,6-dihydropyrimidine-5-carboxylic acid 2-methylpropyl ester IUPAC Name: 2-methylpropyl 6-[4-(adamantane-1-carbonylamino)phenyl]-4-methyl-2-oxo-3-propyl-1,6-dihydropyrimidine-5-carboxylate Traditional Name: 6-[4-(adamantane-1-carbonylamino)phenyl]-2-keto-4-methyl-3-propyl-1,6-dihydropyrimidine-5-carboxylic acid isobutyl ester Formula: C30H41N3O4 MolecularWeight: 507.66424

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Descriptors Computed from Structure

Canonical SMILES:

CCCN1C(=C(C(NC1=O)C2=CC=C(C=C2)NC(=O)C34CC5CC(C3)CC(C5)C4)C(=O)OCC(C)C)C

Isomeric SMILES

CCCN1C(=C(C(NC1=O)C2=CC=C(C=C2)NC(=O)C34CC5CC(C3)CC(C5)C4)C(=O)OCC(C)C)C

InChI

InChI=1S/C30H41N3O4/c1-5-10-33-19(4)25(27(34)37-17-18(2)3)26(32-29(33)36)23-6-8-24(9-7-23)31-28(35)30-14-20-11-21(15-30)13-22(12-20)16-30/h6-9,18,20-22,26H,5,10-17H2,1-4H3,(H,31,35)(H,32,36)