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

Systemtic Name: methyl 6-[4-(1-adamantylcarbonylamino)phenyl]-4-methyl-2-oxidanylidene-3-propyl-1,6-dihydropyrimidine-5-carboxylate Openeye Name: methyl 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 methyl ester IUPAC Name: methyl 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 methyl ester Formula: C27H35N3O4 MolecularWeight: 465.5845

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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)OC)C

Isomeric SMILES

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

InChI

InChI=1S/C27H35N3O4/c1-4-9-30-16(2)22(24(31)34-3)23(29-26(30)33)20-5-7-21(8-6-20)28-25(32)27-13-17-10-18(14-27)12-19(11-17)15-27/h5-8,17-19,23H,4,9-15H2,1-3H3,(H,28,32)(H,29,33)