ethyl (6S)-4-(butylaminomethyl)-6-(3-nitrophenyl)-2-oxidanylidene-3-(phenylmethyl)-1,6-dihydropyrimidine-5-carboxylate

Systemtic Name: ethyl (6S)-4-(butylaminomethyl)-6-(3-nitrophenyl)-2-oxidanylidene-3-(phenylmethyl)-1,6-dihydropyrimidine-5-carboxylate Openeye Name: ethyl (6S)-3-benzyl-4-(butylaminomethyl)-6-(3-nitrophenyl)-2-oxo-1,6-dihydropyrimidine-5-carboxylate CAS Name: (6S)-4-(butylaminomethyl)-6-(3-nitrophenyl)-2-oxo-3-(phenylmethyl)-1,6-dihydropyrimidine-5-carboxylic acid ethyl ester IUPAC Name: ethyl (6S)-3-benzyl-4-(butylaminomethyl)-6-(3-nitrophenyl)-2-oxo-1,6-dihydropyrimidine-5-carboxylate Traditional Name: (6S)-3-benzyl-4-(butylaminomethyl)-2-keto-6-(3-nitrophenyl)-1,6-dihydropyrimidine-5-carboxylic acid ethyl ester Formula: C25H30N4O5 MolecularWeight: 466.5295

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Descriptors Computed from Structure

Canonical SMILES:

CCCCNCC1=C(C(NC(=O)N1CC2=CC=CC=C2)C3=CC(=CC=C3)[N+](=O)[O-])C(=O)OCC

Isomeric SMILES

CCCCNCC1=C([C@@H](NC(=O)N1CC2=CC=CC=C2)C3=CC(=CC=C3)[N+](=O)[O-])C(=O)OCC

InChI

InChI=1S/C25H30N4O5/c1-3-5-14-26-16-21-22(24(30)34-4-2)23(19-12-9-13-20(15-19)29(32)33)27-25(31)28(21)17-18-10-7-6-8-11-18/h6-13,15,23,26H,3-5,14,16-17H2,1-2H3,(H,27,31)/t23-/m0/s1