6-methyl-5-(2-methylbutyl)-2-(4-oxidanylidene-4-phenyl-butyl)sulfanyl-3H-thieno[2,3-d]pyrimidin-4-one

Systemtic Name: 6-methyl-5-(2-methylbutyl)-2-(4-oxidanylidene-4-phenyl-butyl)sulfanyl-3H-thieno[2,3-d]pyrimidin-4-one Openeye Name: 6-methyl-5-(2-methylbutyl)-2-(4-oxo-4-phenyl-butyl)sulfanyl-3H-thieno[2,3-d]pyrimidin-4-one CAS Name: 6-methyl-5-(2-methylbutyl)-2-[(4-oxo-4-phenylbutyl)thio]-3H-thieno[2,3-d]pyrimidin-4-one IUPAC Name: 6-methyl-5-(2-methylbutyl)-2-(4-oxo-4-phenylbutyl)sulfanyl-3H-thieno[2,3-d]pyrimidin-4-one Traditional Name: 2-[(4-keto-4-phenyl-butyl)thio]-6-methyl-5-(2-methylbutyl)-3H-thieno[2,3-d]pyrimidin-4-one Formula: C22H26N2O2S2 MolecularWeight: 414.58404

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)CC1=C(SC2=C1C(=O)NC(=N2)SCCCC(=O)C3=CC=CC=C3)C

Isomeric SMILES

CCC(C)CC1=C(SC2=C1C(=O)NC(=N2)SCCCC(=O)C3=CC=CC=C3)C

InChI

InChI=1S/C22H26N2O2S2/c1-4-14(2)13-17-15(3)28-21-19(17)20(26)23-22(24-21)27-12-8-11-18(25)16-9-6-5-7-10-16/h5-7,9-10,14H,4,8,11-13H2,1-3H3,(H,23,24,26)