2-[(2,5-dimethylphenyl)methylsulfanyl]-3-(pyridin-3-ylmethyl)thieno[3,2-d]pyrimidin-4-one

Systemtic Name: 2-[(2,5-dimethylphenyl)methylsulfanyl]-3-(pyridin-3-ylmethyl)thieno[3,2-d]pyrimidin-4-one Openeye Name: 2-[(2,5-dimethylphenyl)methylsulfanyl]-3-(3-pyridylmethyl)thieno[3,2-d]pyrimidin-4-one CAS Name: 2-[(2,5-dimethylphenyl)methylthio]-3-(3-pyridinylmethyl)-4-thieno[3,2-d]pyrimidinone IUPAC Name: 2-[(2,5-dimethylphenyl)methylsulfanyl]-3-(pyridin-3-ylmethyl)thieno[3,2-d]pyrimidin-4-one Traditional Name: 2-[(2,5-dimethylbenzyl)thio]-3-(3-pyridylmethyl)thieno[3,2-d]pyrimidin-4-one Formula: C21H19N3OS2 MolecularWeight: 393.52506

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)C)CSC2=NC3=C(C(=O)N2CC4=CN=CC=C4)SC=C3

Isomeric SMILES

CC1=CC(=C(C=C1)C)CSC2=NC3=C(C(=O)N2CC4=CN=CC=C4)SC=C3

InChI

InChI=1S/C21H19N3OS2/c1-14-5-6-15(2)17(10-14)13-27-21-23-18-7-9-26-19(18)20(25)24(21)12-16-4-3-8-22-11-16/h3-11H,12-13H2,1-2H3