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

Systemtic Name: 2-[(4-tert-butylphenyl)methylsulfanyl]-3-phenethyl-thieno[3,2-d]pyrimidin-4-one Openeye Name: 2-[(4-tert-butylphenyl)methylsulfanyl]-3-phenethyl-thieno[3,2-d]pyrimidin-4-one CAS Name: 2-[(4-tert-butylphenyl)methylthio]-3-phenethyl-4-thieno[3,2-d]pyrimidinone IUPAC Name: 2-[(4-tert-butylphenyl)methylsulfanyl]-3-phenethylthieno[3,2-d]pyrimidin-4-one Traditional Name: 2-[(4-tert-butylbenzyl)thio]-3-phenethyl-thieno[3,2-d]pyrimidin-4-one Formula: C25H26N2OS2 MolecularWeight: 434.61674

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC=C(C=C1)CSC2=NC3=C(C(=O)N2CCC4=CC=CC=C4)SC=C3

Isomeric SMILES

CC(C)(C)C1=CC=C(C=C1)CSC2=NC3=C(C(=O)N2CCC4=CC=CC=C4)SC=C3

InChI

InChI=1S/C25H26N2OS2/c1-25(2,3)20-11-9-19(10-12-20)17-30-24-26-21-14-16-29-22(21)23(28)27(24)15-13-18-7-5-4-6-8-18/h4-12,14,16H,13,15,17H2,1-3H3