ethyl 4-[4-(4-benzamido-5,6-dimethyl-furo[2,3-d]pyrimidin-2-yl)sulfanylbutanoylamino]benzoate

Systemtic Name: ethyl 4-[4-(4-benzamido-5,6-dimethyl-furo[2,3-d]pyrimidin-2-yl)sulfanylbutanoylamino]benzoate Openeye Name: ethyl 4-[4-(4-benzamido-5,6-dimethyl-furo[2,3-d]pyrimidin-2-yl)sulfanylbutanoylamino]benzoate CAS Name: 4-[[4-[(4-benzamido-5,6-dimethyl-2-furo[2,3-d]pyrimidinyl)thio]-1-oxobutyl]amino]benzoic acid ethyl ester IUPAC Name: ethyl 4-[4-(4-benzamido-5,6-dimethylfuro[2,3-d]pyrimidin-2-yl)sulfanylbutanoylamino]benzoate Traditional Name: 4-[4-[(4-benzamido-5,6-dimethyl-furo[2,3-d]pyrimidin-2-yl)thio]butanoylamino]benzoic acid ethyl ester Formula: C28H28N4O5S MolecularWeight: 532.61072

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC=C(C=C1)NC(=O)CCCSC2=NC(=C3C(=C(OC3=N2)C)C)NC(=O)C4=CC=CC=C4

Isomeric SMILES

CCOC(=O)C1=CC=C(C=C1)NC(=O)CCCSC2=NC(=C3C(=C(OC3=N2)C)C)NC(=O)C4=CC=CC=C4

InChI

InChI=1S/C28H28N4O5S/c1-4-36-27(35)20-12-14-21(15-13-20)29-22(33)11-8-16-38-28-31-24(23-17(2)18(3)37-26(23)32-28)30-25(34)19-9-6-5-7-10-19/h5-7,9-10,12-15H,4,8,11,16H2,1-3H3,(H,29,33)(H,30,31,32,34)