3-(1,3-benzodioxol-5-ylmethyl)-2-[(4-tert-butylphenyl)methylsulfanyl]thieno[3,2-d]pyrimidin-4-one

Systemtic Name: 3-(1,3-benzodioxol-5-ylmethyl)-2-[(4-tert-butylphenyl)methylsulfanyl]thieno[3,2-d]pyrimidin-4-one Openeye Name: 3-(1,3-benzodioxol-5-ylmethyl)-2-[(4-tert-butylphenyl)methylsulfanyl]thieno[3,2-d]pyrimidin-4-one CAS Name: 3-(1,3-benzodioxol-5-ylmethyl)-2-[(4-tert-butylphenyl)methylthio]-4-thieno[3,2-d]pyrimidinone IUPAC Name: 3-(1,3-benzodioxol-5-ylmethyl)-2-[(4-tert-butylphenyl)methylsulfanyl]thieno[3,2-d]pyrimidin-4-one Traditional Name: 2-[(4-tert-butylbenzyl)thio]-3-piperonyl-thieno[3,2-d]pyrimidin-4-one Formula: C25H24N2O3S2 MolecularWeight: 464.59966

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC=C(C=C1)CSC2=NC3=C(C(=O)N2CC4=CC5=C(C=C4)OCO5)SC=C3

Isomeric SMILES

CC(C)(C)C1=CC=C(C=C1)CSC2=NC3=C(C(=O)N2CC4=CC5=C(C=C4)OCO5)SC=C3

InChI

InChI=1S/C25H24N2O3S2/c1-25(2,3)18-7-4-16(5-8-18)14-32-24-26-19-10-11-31-22(19)23(28)27(24)13-17-6-9-20-21(12-17)30-15-29-20/h4-12H,13-15H2,1-3H3