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

Systemtic Name: ethyl 6-[(1-azanyl-4-phenyl-imidazol-2-yl)sulfanylmethyl]-4-methyl-2-oxidanylidene-3,4-dihydro-1H-pyrimidine-5-carboxylate Openeye Name: ethyl 6-[(1-amino-4-phenyl-imidazol-2-yl)sulfanylmethyl]-4-methyl-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylate CAS Name: 6-[[(1-amino-4-phenyl-2-imidazolyl)thio]methyl]-4-methyl-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylic acid ethyl ester IUPAC Name: ethyl 6-[(1-amino-4-phenylimidazol-2-yl)sulfanylmethyl]-4-methyl-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylate Traditional Name: 6-[[(1-amino-4-phenyl-imidazol-2-yl)thio]methyl]-2-keto-4-methyl-3,4-dihydro-1H-pyrimidine-5-carboxylic acid ethyl ester Formula: C18H21N5O3S MolecularWeight: 387.45604

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(NC(=O)NC1C)CSC2=NC(=CN2N)C3=CC=CC=C3

Isomeric SMILES

CCOC(=O)C1=C(NC(=O)NC1C)CSC2=NC(=CN2N)C3=CC=CC=C3

InChI

InChI=1S/C18H21N5O3S/c1-3-26-16(24)15-11(2)20-17(25)21-14(15)10-27-18-22-13(9-23(18)19)12-7-5-4-6-8-12/h4-9,11H,3,10,19H2,1-2H3,(H2,20,21,25)