butyl 3-[2-[[6-methyl-4-oxidanylidene-5-(phenylmethyl)-1H-pyrimidin-2-yl]sulfanyl]ethanoylamino]benzoate

Systemtic Name: butyl 3-[2-[[6-methyl-4-oxidanylidene-5-(phenylmethyl)-1H-pyrimidin-2-yl]sulfanyl]ethanoylamino]benzoate Openeye Name: butyl 3-[[2-[(5-benzyl-6-methyl-4-oxo-1H-pyrimidin-2-yl)sulfanyl]acetyl]amino]benzoate CAS Name: 3-[[2-[[6-methyl-4-oxo-5-(phenylmethyl)-1H-pyrimidin-2-yl]thio]-1-oxoethyl]amino]benzoic acid butyl ester IUPAC Name: butyl 3-[[2-[(5-benzyl-6-methyl-4-oxo-1H-pyrimidin-2-yl)sulfanyl]acetyl]amino]benzoate Traditional Name: 3-[[2-[(5-benzyl-4-keto-6-methyl-1H-pyrimidin-2-yl)thio]acetyl]amino]benzoic acid butyl ester Formula: C25H27N3O4S MolecularWeight: 465.56458

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC(=O)C1=CC(=CC=C1)NC(=O)CSC2=NC(=O)C(=C(N2)C)CC3=CC=CC=C3

Isomeric SMILES

CCCCOC(=O)C1=CC(=CC=C1)NC(=O)CSC2=NC(=O)C(=C(N2)C)CC3=CC=CC=C3

InChI

InChI=1S/C25H27N3O4S/c1-3-4-13-32-24(31)19-11-8-12-20(15-19)27-22(29)16-33-25-26-17(2)21(23(30)28-25)14-18-9-6-5-7-10-18/h5-12,15H,3-4,13-14,16H2,1-2H3,(H,27,29)(H,26,28,30)