5-cyclopropyl-3-phenyl-2-(pyridin-3-ylmethylsulfanyl)thieno[2,3-d]pyrimidin-4-one

Systemtic Name: 5-cyclopropyl-3-phenyl-2-(pyridin-3-ylmethylsulfanyl)thieno[2,3-d]pyrimidin-4-one Openeye Name: 5-cyclopropyl-3-phenyl-2-(3-pyridylmethylsulfanyl)thieno[2,3-d]pyrimidin-4-one CAS Name: 5-cyclopropyl-3-phenyl-2-(3-pyridinylmethylthio)-4-thieno[2,3-d]pyrimidinone IUPAC Name: 5-cyclopropyl-3-phenyl-2-(pyridin-3-ylmethylsulfanyl)thieno[2,3-d]pyrimidin-4-one Traditional Name: 5-cyclopropyl-3-phenyl-2-(3-pyridylmethylthio)thieno[2,3-d]pyrimidin-4-one Formula: C21H17N3OS2 MolecularWeight: 391.50918

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Descriptors Computed from Structure

Canonical SMILES:

C1CC1C2=CSC3=C2C(=O)N(C(=N3)SCC4=CN=CC=C4)C5=CC=CC=C5

Isomeric SMILES

C1CC1C2=CSC3=C2C(=O)N(C(=N3)SCC4=CN=CC=C4)C5=CC=CC=C5

InChI

InChI=1S/C21H17N3OS2/c25-20-18-17(15-8-9-15)13-26-19(18)23-21(24(20)16-6-2-1-3-7-16)27-12-14-5-4-10-22-11-14/h1-7,10-11,13,15H,8-9,12H2