6-(phenylmethyl)-3-[4-(pyridin-4-ylmethyl)phenyl]-2-sulfanylidene-1H-thieno[2,3-d]pyrimidin-4-one

Systemtic Name: 6-(phenylmethyl)-3-[4-(pyridin-4-ylmethyl)phenyl]-2-sulfanylidene-1H-thieno[2,3-d]pyrimidin-4-one Openeye Name: 6-benzyl-3-[4-(4-pyridylmethyl)phenyl]-2-thioxo-1H-thieno[2,3-d]pyrimidin-4-one CAS Name: 6-(phenylmethyl)-3-[4-(pyridin-4-ylmethyl)phenyl]-2-sulfanylidene-1H-thieno[2,3-d]pyrimidin-4-one IUPAC Name: 6-benzyl-3-[4-(pyridin-4-ylmethyl)phenyl]-2-sulfanylidene-1H-thieno[2,3-d]pyrimidin-4-one Traditional Name: 6-benzyl-3-[4-(4-pyridylmethyl)phenyl]-2-thioxo-1H-thieno[2,3-d]pyrimidin-4-one Formula: C25H19N3OS2 MolecularWeight: 441.56786

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CC2=CC3=C(S2)NC(=S)N(C3=O)C4=CC=C(C=C4)CC5=CC=NC=C5

Isomeric SMILES

C1=CC=C(C=C1)CC2=CC3=C(S2)NC(=S)N(C3=O)C4=CC=C(C=C4)CC5=CC=NC=C5

InChI

InChI=1S/C25H19N3OS2/c29-24-22-16-21(15-17-4-2-1-3-5-17)31-23(22)27-25(30)28(24)20-8-6-18(7-9-20)14-19-10-12-26-13-11-19/h1-13,16H,14-15H2,(H,27,30)