cyclohexyl 2-(6-methyl-5-phenyl-thieno[2,3-d]pyrimidin-4-yl)sulfanylethanoate

Systemtic Name: cyclohexyl 2-(6-methyl-5-phenyl-thieno[2,3-d]pyrimidin-4-yl)sulfanylethanoate Openeye Name: cyclohexyl 2-(6-methyl-5-phenyl-thieno[2,3-d]pyrimidin-4-yl)sulfanylacetate CAS Name: 2-[(6-methyl-5-phenyl-4-thieno[2,3-d]pyrimidinyl)thio]acetic acid cyclohexyl ester IUPAC Name: cyclohexyl 2-(6-methyl-5-phenylthieno[2,3-d]pyrimidin-4-yl)sulfanylacetate Traditional Name: 2-[(6-methyl-5-phenyl-thieno[2,3-d]pyrimidin-4-yl)thio]acetic acid cyclohexyl ester Formula: C21H22N2O2S2 MolecularWeight: 398.54158

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C2=C(S1)N=CN=C2SCC(=O)OC3CCCCC3)C4=CC=CC=C4

Isomeric SMILES

CC1=C(C2=C(S1)N=CN=C2SCC(=O)OC3CCCCC3)C4=CC=CC=C4

InChI

InChI=1S/C21H22N2O2S2/c1-14-18(15-8-4-2-5-9-15)19-20(22-13-23-21(19)27-14)26-12-17(24)25-16-10-6-3-7-11-16/h2,4-5,8-9,13,16H,3,6-7,10-12H2,1H3