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

Systemtic Name: cyclohexyl 2-(6-methyl-4-oxidanylidene-5-phenyl-thieno[2,3-d]pyrimidin-3-yl)ethanoate Openeye Name: cyclohexyl 2-(6-methyl-4-oxo-5-phenyl-thieno[2,3-d]pyrimidin-3-yl)acetate CAS Name: 2-(6-methyl-4-oxo-5-phenyl-3-thieno[2,3-d]pyrimidinyl)acetic acid cyclohexyl ester IUPAC Name: cyclohexyl 2-(6-methyl-4-oxo-5-phenylthieno[2,3-d]pyrimidin-3-yl)acetate Traditional Name: 2-(4-keto-6-methyl-5-phenyl-thieno[2,3-d]pyrimidin-3-yl)acetic acid cyclohexyl ester Formula: C21H22N2O3S MolecularWeight: 382.47598

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H22N2O3S/c1-14-18(15-8-4-2-5-9-15)19-20(27-14)22-13-23(21(19)25)12-17(24)26-16-10-6-3-7-11-16/h2,4-5,8-9,13,16H,3,6-7,10-12H2,1H3