3-butyl-5,6-dimethyl-2-(quinolin-8-ylmethylsulfanyl)thieno[2,3-d]pyrimidin-4-one

Systemtic Name: 3-butyl-5,6-dimethyl-2-(quinolin-8-ylmethylsulfanyl)thieno[2,3-d]pyrimidin-4-one Openeye Name: 3-butyl-5,6-dimethyl-2-(8-quinolylmethylsulfanyl)thieno[2,3-d]pyrimidin-4-one CAS Name: 3-butyl-5,6-dimethyl-2-(8-quinolinylmethylthio)-4-thieno[2,3-d]pyrimidinone IUPAC Name: 3-butyl-5,6-dimethyl-2-(quinolin-8-ylmethylsulfanyl)thieno[2,3-d]pyrimidin-4-one Traditional Name: 3-butyl-5,6-dimethyl-2-(8-quinolylmethylthio)thieno[2,3-d]pyrimidin-4-one Formula: C22H23N3OS2 MolecularWeight: 409.56752

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN1C(=O)C2=C(N=C1SCC3=CC=CC4=C3N=CC=C4)SC(=C2C)C

Isomeric SMILES

CCCCN1C(=O)C2=C(N=C1SCC3=CC=CC4=C3N=CC=C4)SC(=C2C)C

InChI

InChI=1S/C22H23N3OS2/c1-4-5-12-25-21(26)18-14(2)15(3)28-20(18)24-22(25)27-13-17-9-6-8-16-10-7-11-23-19(16)17/h6-11H,4-5,12-13H2,1-3H3