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

Systemtic Name: ethyl 6-[4-(1-adamantylcarbonylamino)phenyl]-3-butyl-4-methyl-2-oxidanylidene-1,6-dihydropyrimidine-5-carboxylate Openeye Name: ethyl 6-[4-(adamantane-1-carbonylamino)phenyl]-3-butyl-4-methyl-2-oxo-1,6-dihydropyrimidine-5-carboxylate CAS Name: 6-[4-[[1-adamantyl(oxo)methyl]amino]phenyl]-3-butyl-4-methyl-2-oxo-1,6-dihydropyrimidine-5-carboxylic acid ethyl ester IUPAC Name: ethyl 6-[4-(adamantane-1-carbonylamino)phenyl]-3-butyl-4-methyl-2-oxo-1,6-dihydropyrimidine-5-carboxylate Traditional Name: 6-[4-(adamantane-1-carbonylamino)phenyl]-3-butyl-2-keto-4-methyl-1,6-dihydropyrimidine-5-carboxylic acid ethyl ester Formula: C29H39N3O4 MolecularWeight: 493.63766

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN1C(=C(C(NC1=O)C2=CC=C(C=C2)NC(=O)C34CC5CC(C3)CC(C5)C4)C(=O)OCC)C

Isomeric SMILES

CCCCN1C(=C(C(NC1=O)C2=CC=C(C=C2)NC(=O)C34CC5CC(C3)CC(C5)C4)C(=O)OCC)C

InChI

InChI=1S/C29H39N3O4/c1-4-6-11-32-18(3)24(26(33)36-5-2)25(31-28(32)35)22-7-9-23(10-8-22)30-27(34)29-15-19-12-20(16-29)14-21(13-19)17-29/h7-10,19-21,25H,4-6,11-17H2,1-3H3,(H,30,34)(H,31,35)