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

Systemtic Name: 3-[(2S)-3-(4-tert-butylphenoxy)-2-oxidanyl-propyl]-6-ethyl-thieno[2,3-d]pyrimidin-4-one Openeye Name: 3-[(2S)-3-(4-tert-butylphenoxy)-2-hydroxy-propyl]-6-ethyl-thieno[2,3-d]pyrimidin-4-one CAS Name: 3-[(2S)-3-(4-tert-butylphenoxy)-2-hydroxypropyl]-6-ethyl-4-thieno[2,3-d]pyrimidinone IUPAC Name: 3-[(2S)-3-(4-tert-butylphenoxy)-2-hydroxypropyl]-6-ethylthieno[2,3-d]pyrimidin-4-one Traditional Name: 3-[(2S)-3-(4-tert-butylphenoxy)-2-hydroxy-propyl]-6-ethyl-thieno[2,3-d]pyrimidin-4-one Formula: C21H26N2O3S MolecularWeight: 386.50774

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H26N2O3S/c1-5-17-10-18-19(27-17)22-13-23(20(18)25)11-15(24)12-26-16-8-6-14(7-9-16)21(2,3)4/h6-10,13,15,24H,5,11-12H2,1-4H3/t15-/m0/s1