methyl 4-[(5-phenylthieno[2,3-d]pyrimidin-4-yl)sulfanylmethyl]benzoate

Systemtic Name: methyl 4-[(5-phenylthieno[2,3-d]pyrimidin-4-yl)sulfanylmethyl]benzoate Openeye Name: methyl 4-[(5-phenylthieno[2,3-d]pyrimidin-4-yl)sulfanylmethyl]benzoate CAS Name: 4-[[(5-phenyl-4-thieno[2,3-d]pyrimidinyl)thio]methyl]benzoic acid methyl ester IUPAC Name: methyl 4-[(5-phenylthieno[2,3-d]pyrimidin-4-yl)sulfanylmethyl]benzoate Traditional Name: 4-[[(5-phenylthieno[2,3-d]pyrimidin-4-yl)thio]methyl]benzoic acid methyl ester Formula: C21H16N2O2S2 MolecularWeight: 392.49394

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC=C(C=C1)CSC2=NC=NC3=C2C(=CS3)C4=CC=CC=C4

Isomeric SMILES

COC(=O)C1=CC=C(C=C1)CSC2=NC=NC3=C2C(=CS3)C4=CC=CC=C4

InChI

InChI=1S/C21H16N2O2S2/c1-25-21(24)16-9-7-14(8-10-16)11-26-19-18-17(15-5-3-2-4-6-15)12-27-20(18)23-13-22-19/h2-10,12-13H,11H2,1H3