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

Systemtic Name: cyclohexyl 2-(6-methyl-4-oxidanylidene-5-phenyl-thieno[2,3-d]pyrimidin-3-yl)propanoate Openeye Name: cyclohexyl 2-(6-methyl-4-oxo-5-phenyl-thieno[2,3-d]pyrimidin-3-yl)propanoate CAS Name: 2-(6-methyl-4-oxo-5-phenyl-3-thieno[2,3-d]pyrimidinyl)propanoic acid cyclohexyl ester IUPAC Name: cyclohexyl 2-(6-methyl-4-oxo-5-phenylthieno[2,3-d]pyrimidin-3-yl)propanoate Traditional Name: 2-(4-keto-6-methyl-5-phenyl-thieno[2,3-d]pyrimidin-3-yl)propionic acid cyclohexyl ester Formula: C22H24N2O3S MolecularWeight: 396.50256

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H24N2O3S/c1-14(22(26)27-17-11-7-4-8-12-17)24-13-23-20-19(21(24)25)18(15(2)28-20)16-9-5-3-6-10-16/h3,5-6,9-10,13-14,17H,4,7-8,11-12H2,1-2H3