3-[(2S)-3-(4-tert-butyl-2-methyl-phenoxy)-2-oxidanyl-propyl]-6-ethyl-thieno[2,3-d]pyrimidin-4-one

Systemtic Name: 3-[(2S)-3-(4-tert-butyl-2-methyl-phenoxy)-2-oxidanyl-propyl]-6-ethyl-thieno[2,3-d]pyrimidin-4-one Openeye Name: 3-[(2S)-3-(4-tert-butyl-2-methyl-phenoxy)-2-hydroxy-propyl]-6-ethyl-thieno[2,3-d]pyrimidin-4-one CAS Name: 3-[(2S)-3-(4-tert-butyl-2-methylphenoxy)-2-hydroxypropyl]-6-ethyl-4-thieno[2,3-d]pyrimidinone IUPAC Name: 3-[(2S)-3-(4-tert-butyl-2-methylphenoxy)-2-hydroxypropyl]-6-ethylthieno[2,3-d]pyrimidin-4-one Traditional Name: 3-[(2S)-3-(4-tert-butyl-2-methyl-phenoxy)-2-hydroxy-propyl]-6-ethyl-thieno[2,3-d]pyrimidin-4-one Formula: C22H28N2O3S MolecularWeight: 400.53432

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC2=C(S1)N=CN(C2=O)CC(COC3=C(C=C(C=C3)C(C)(C)C)C)O

Isomeric SMILES

CCC1=CC2=C(S1)N=CN(C2=O)C[C@@H](COC3=C(C=C(C=C3)C(C)(C)C)C)O

InChI

InChI=1S/C22H28N2O3S/c1-6-17-10-18-20(28-17)23-13-24(21(18)26)11-16(25)12-27-19-8-7-15(9-14(19)2)22(3,4)5/h7-10,13,16,25H,6,11-12H2,1-5H3/t16-/m0/s1