3-[(4-tert-butylphenyl)methyl]-5-(4-propoxyphenyl)thieno[2,3-d]pyrimidin-4-one

Systemtic Name: 3-[(4-tert-butylphenyl)methyl]-5-(4-propoxyphenyl)thieno[2,3-d]pyrimidin-4-one Openeye Name: 3-[(4-tert-butylphenyl)methyl]-5-(4-propoxyphenyl)thieno[2,3-d]pyrimidin-4-one CAS Name: 3-[(4-tert-butylphenyl)methyl]-5-(4-propoxyphenyl)-4-thieno[2,3-d]pyrimidinone IUPAC Name: 3-[(4-tert-butylphenyl)methyl]-5-(4-propoxyphenyl)thieno[2,3-d]pyrimidin-4-one Traditional Name: 3-(4-tert-butylbenzyl)-5-(4-propoxyphenyl)thieno[2,3-d]pyrimidin-4-one Formula: C26H28N2O2S MolecularWeight: 432.57772

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Descriptors Computed from Structure

Canonical SMILES:

CCCOC1=CC=C(C=C1)C2=CSC3=C2C(=O)N(C=N3)CC4=CC=C(C=C4)C(C)(C)C

Isomeric SMILES

CCCOC1=CC=C(C=C1)C2=CSC3=C2C(=O)N(C=N3)CC4=CC=C(C=C4)C(C)(C)C

InChI

InChI=1S/C26H28N2O2S/c1-5-14-30-21-12-8-19(9-13-21)22-16-31-24-23(22)25(29)28(17-27-24)15-18-6-10-20(11-7-18)26(2,3)4/h6-13,16-17H,5,14-15H2,1-4H3