2-[(4-tert-butylphenyl)methylsulfanyl]-3,6-diphenyl-thieno[2,3-d]pyrimidin-4-one

Systemtic Name: 2-[(4-tert-butylphenyl)methylsulfanyl]-3,6-diphenyl-thieno[2,3-d]pyrimidin-4-one Openeye Name: 2-[(4-tert-butylphenyl)methylsulfanyl]-3,6-diphenyl-thieno[2,3-d]pyrimidin-4-one CAS Name: 2-[(4-tert-butylphenyl)methylthio]-3,6-diphenyl-4-thieno[2,3-d]pyrimidinone IUPAC Name: 2-[(4-tert-butylphenyl)methylsulfanyl]-3,6-diphenylthieno[2,3-d]pyrimidin-4-one Traditional Name: 2-[(4-tert-butylbenzyl)thio]-3,6-diphenyl-thieno[2,3-d]pyrimidin-4-one Formula: C29H26N2OS2 MolecularWeight: 482.65954

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC=C(C=C1)CSC2=NC3=C(C=C(S3)C4=CC=CC=C4)C(=O)N2C5=CC=CC=C5

Isomeric SMILES

CC(C)(C)C1=CC=C(C=C1)CSC2=NC3=C(C=C(S3)C4=CC=CC=C4)C(=O)N2C5=CC=CC=C5

InChI

InChI=1S/C29H26N2OS2/c1-29(2,3)22-16-14-20(15-17-22)19-33-28-30-26-24(18-25(34-26)21-10-6-4-7-11-21)27(32)31(28)23-12-8-5-9-13-23/h4-18H,19H2,1-3H3