5-phenyl-2-(pyrimidin-2-ylsulfanylmethyl)-3H-thieno[2,3-d]pyrimidin-4-one

Systemtic Name: 5-phenyl-2-(pyrimidin-2-ylsulfanylmethyl)-3H-thieno[2,3-d]pyrimidin-4-one Openeye Name: 5-phenyl-2-(pyrimidin-2-ylsulfanylmethyl)-3H-thieno[2,3-d]pyrimidin-4-one CAS Name: 5-phenyl-2-[(2-pyrimidinylthio)methyl]-3H-thieno[2,3-d]pyrimidin-4-one IUPAC Name: 5-phenyl-2-(pyrimidin-2-ylsulfanylmethyl)-3H-thieno[2,3-d]pyrimidin-4-one Traditional Name: 5-phenyl-2-[(2-pyrimidylthio)methyl]-3H-thieno[2,3-d]pyrimidin-4-one Formula: C17H12N4OS2 MolecularWeight: 352.43338

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C2=CSC3=C2C(=O)NC(=N3)CSC4=NC=CC=N4

Isomeric SMILES

C1=CC=C(C=C1)C2=CSC3=C2C(=O)NC(=N3)CSC4=NC=CC=N4

InChI

InChI=1S/C17H12N4OS2/c22-15-14-12(11-5-2-1-3-6-11)9-23-16(14)21-13(20-15)10-24-17-18-7-4-8-19-17/h1-9H,10H2,(H,20,21,22)