3-azanyl-2-[(4-tert-butyl-2,6-dimethyl-phenyl)methylsulfanyl]-5-phenyl-thieno[2,3-d]pyrimidin-4-one

Systemtic Name: 3-azanyl-2-[(4-tert-butyl-2,6-dimethyl-phenyl)methylsulfanyl]-5-phenyl-thieno[2,3-d]pyrimidin-4-one Openeye Name: 3-amino-2-[(4-tert-butyl-2,6-dimethyl-phenyl)methylsulfanyl]-5-phenyl-thieno[2,3-d]pyrimidin-4-one CAS Name: 3-amino-2-[(4-tert-butyl-2,6-dimethylphenyl)methylthio]-5-phenyl-4-thieno[2,3-d]pyrimidinone IUPAC Name: 3-amino-2-[(4-tert-butyl-2,6-dimethylphenyl)methylsulfanyl]-5-phenylthieno[2,3-d]pyrimidin-4-one Traditional Name: 3-amino-2-[(4-tert-butyl-2,6-dimethyl-benzyl)thio]-5-phenyl-thieno[2,3-d]pyrimidin-4-one Formula: C25H27N3OS2 MolecularWeight: 449.63138

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1CSC2=NC3=C(C(=CS3)C4=CC=CC=C4)C(=O)N2N)C)C(C)(C)C

Isomeric SMILES

CC1=CC(=CC(=C1CSC2=NC3=C(C(=CS3)C4=CC=CC=C4)C(=O)N2N)C)C(C)(C)C

InChI

InChI=1S/C25H27N3OS2/c1-15-11-18(25(3,4)5)12-16(2)19(15)13-31-24-27-22-21(23(29)28(24)26)20(14-30-22)17-9-7-6-8-10-17/h6-12,14H,13,26H2,1-5H3