3-[3-(2-tert-butylphenoxy)-2-oxidanyl-propyl]-5-phenyl-thieno[2,3-d]pyrimidin-4-one

Systemtic Name: 3-[3-(2-tert-butylphenoxy)-2-oxidanyl-propyl]-5-phenyl-thieno[2,3-d]pyrimidin-4-one Openeye Name: 3-[3-(2-tert-butylphenoxy)-2-hydroxy-propyl]-5-phenyl-thieno[2,3-d]pyrimidin-4-one CAS Name: 3-[3-(2-tert-butylphenoxy)-2-hydroxypropyl]-5-phenyl-4-thieno[2,3-d]pyrimidinone IUPAC Name: 3-[3-(2-tert-butylphenoxy)-2-hydroxypropyl]-5-phenylthieno[2,3-d]pyrimidin-4-one Traditional Name: 3-[3-(2-tert-butylphenoxy)-2-hydroxy-propyl]-5-phenyl-thieno[2,3-d]pyrimidin-4-one Formula: C25H26N2O3S MolecularWeight: 434.55054

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC=CC=C1OCC(CN2C=NC3=C(C2=O)C(=CS3)C4=CC=CC=C4)O

Isomeric SMILES

CC(C)(C)C1=CC=CC=C1OCC(CN2C=NC3=C(C2=O)C(=CS3)C4=CC=CC=C4)O

InChI

InChI=1S/C25H26N2O3S/c1-25(2,3)20-11-7-8-12-21(20)30-14-18(28)13-27-16-26-23-22(24(27)29)19(15-31-23)17-9-5-4-6-10-17/h4-12,15-16,18,28H,13-14H2,1-3H3