ethyl (4S)-6-[(1-adamantylamino)methyl]-4-(furan-2-yl)-2-oxidanylidene-3,4-dihydro-1H-pyrimidine-5-carboxylate

Systemtic Name: ethyl (4S)-6-[(1-adamantylamino)methyl]-4-(furan-2-yl)-2-oxidanylidene-3,4-dihydro-1H-pyrimidine-5-carboxylate Openeye Name: ethyl (4S)-6-[(1-adamantylamino)methyl]-4-(2-furyl)-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylate CAS Name: (4S)-6-[(1-adamantylamino)methyl]-4-(2-furanyl)-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylic acid ethyl ester IUPAC Name: ethyl (4S)-6-[(1-adamantylamino)methyl]-4-(furan-2-yl)-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylate Traditional Name: (4S)-6-[(1-adamantylamino)methyl]-4-(2-furyl)-2-keto-3,4-dihydro-1H-pyrimidine-5-carboxylic acid ethyl ester Formula: C22H29N3O4 MolecularWeight: 399.48336

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(NC(=O)NC1C2=CC=CO2)CNC34CC5CC(C3)CC(C5)C4

Isomeric SMILES

CCOC(=O)C1=C(NC(=O)N[C@@H]1C2=CC=CO2)CNC34CC5CC(C3)CC(C5)C4

InChI

InChI=1S/C22H29N3O4/c1-2-28-20(26)18-16(24-21(27)25-19(18)17-4-3-5-29-17)12-23-22-9-13-6-14(10-22)8-15(7-13)11-22/h3-5,13-15,19,23H,2,6-12H2,1H3,(H2,24,25,27)/t13?,14?,15?,19-,22?/m1/s1