ethyl 6-[(1-azanyl-4-phenyl-imidazol-2-yl)sulfanylmethyl]-2-oxidanylidene-4-phenyl-3,4-dihydro-1H-pyrimidine-5-carboxylate

Systemtic Name: ethyl 6-[(1-azanyl-4-phenyl-imidazol-2-yl)sulfanylmethyl]-2-oxidanylidene-4-phenyl-3,4-dihydro-1H-pyrimidine-5-carboxylate Openeye Name: ethyl 6-[(1-amino-4-phenyl-imidazol-2-yl)sulfanylmethyl]-2-oxo-4-phenyl-3,4-dihydro-1H-pyrimidine-5-carboxylate CAS Name: 6-[[(1-amino-4-phenyl-2-imidazolyl)thio]methyl]-2-oxo-4-phenyl-3,4-dihydro-1H-pyrimidine-5-carboxylic acid ethyl ester IUPAC Name: ethyl 6-[(1-amino-4-phenylimidazol-2-yl)sulfanylmethyl]-2-oxo-4-phenyl-3,4-dihydro-1H-pyrimidine-5-carboxylate Traditional Name: 6-[[(1-amino-4-phenyl-imidazol-2-yl)thio]methyl]-2-keto-4-phenyl-3,4-dihydro-1H-pyrimidine-5-carboxylic acid ethyl ester Formula: C23H23N5O3S MolecularWeight: 449.52542

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(NC(=O)NC1C2=CC=CC=C2)CSC3=NC(=CN3N)C4=CC=CC=C4

Isomeric SMILES

CCOC(=O)C1=C(NC(=O)NC1C2=CC=CC=C2)CSC3=NC(=CN3N)C4=CC=CC=C4

InChI

InChI=1S/C23H23N5O3S/c1-2-31-21(29)19-18(25-22(30)27-20(19)16-11-7-4-8-12-16)14-32-23-26-17(13-28(23)24)15-9-5-3-6-10-15/h3-13,20H,2,14,24H2,1H3,(H2,25,27,30)