ethyl 2-[[1,4-dimethyl-6-oxidanylidene-5-(phenylmethyl)pyrimidin-2-yl]sulfanylmethyl]-1,3-thiazole-4-carboxylate

Systemtic Name: ethyl 2-[[1,4-dimethyl-6-oxidanylidene-5-(phenylmethyl)pyrimidin-2-yl]sulfanylmethyl]-1,3-thiazole-4-carboxylate Openeye Name: ethyl 2-[(5-benzyl-1,4-dimethyl-6-oxo-pyrimidin-2-yl)sulfanylmethyl]thiazole-4-carboxylate CAS Name: 2-[[[1,4-dimethyl-6-oxo-5-(phenylmethyl)-2-pyrimidinyl]thio]methyl]-4-thiazolecarboxylic acid ethyl ester IUPAC Name: ethyl 2-[(5-benzyl-1,4-dimethyl-6-oxopyrimidin-2-yl)sulfanylmethyl]-1,3-thiazole-4-carboxylate Traditional Name: 2-[[(5-benzyl-6-keto-1,4-dimethyl-pyrimidin-2-yl)thio]methyl]thiazole-4-carboxylic acid ethyl ester Formula: C20H21N3O3S2 MolecularWeight: 415.52904

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CSC(=N1)CSC2=NC(=C(C(=O)N2C)CC3=CC=CC=C3)C

Isomeric SMILES

CCOC(=O)C1=CSC(=N1)CSC2=NC(=C(C(=O)N2C)CC3=CC=CC=C3)C

InChI

InChI=1S/C20H21N3O3S2/c1-4-26-19(25)16-11-27-17(22-16)12-28-20-21-13(2)15(18(24)23(20)3)10-14-8-6-5-7-9-14/h5-9,11H,4,10,12H2,1-3H3