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

Systemtic Name: ethyl (4S)-6-[(cyclooctylamino)methyl]-4-(furan-2-yl)-2-oxidanylidene-3,4-dihydro-1H-pyrimidine-5-carboxylate Openeye Name: ethyl (4S)-6-[(cyclooctylamino)methyl]-4-(2-furyl)-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylate CAS Name: (4S)-6-[(cyclooctylamino)methyl]-4-(2-furanyl)-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylic acid ethyl ester IUPAC Name: ethyl (4S)-6-[(cyclooctylamino)methyl]-4-(furan-2-yl)-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylate Traditional Name: (4S)-6-[(cyclooctylamino)methyl]-4-(2-furyl)-2-keto-3,4-dihydro-1H-pyrimidine-5-carboxylic acid ethyl ester Formula: C20H29N3O4 MolecularWeight: 375.46196

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(NC(=O)NC1C2=CC=CO2)CNC3CCCCCCC3

Isomeric SMILES

CCOC(=O)C1=C(NC(=O)N[C@@H]1C2=CC=CO2)CNC3CCCCCCC3

InChI

InChI=1S/C20H29N3O4/c1-2-26-19(24)17-15(13-21-14-9-6-4-3-5-7-10-14)22-20(25)23-18(17)16-11-8-12-27-16/h8,11-12,14,18,21H,2-7,9-10,13H2,1H3,(H2,22,23,25)/t18-/m1/s1