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

Systemtic Name: 5-ethyl-6-methyl-3-[4-(pyridin-4-ylmethyl)phenyl]-2-sulfanylidene-1H-thieno[2,3-d]pyrimidin-4-one Openeye Name: 5-ethyl-6-methyl-3-[4-(4-pyridylmethyl)phenyl]-2-thioxo-1H-thieno[2,3-d]pyrimidin-4-one CAS Name: 5-ethyl-6-methyl-3-[4-(pyridin-4-ylmethyl)phenyl]-2-sulfanylidene-1H-thieno[2,3-d]pyrimidin-4-one IUPAC Name: 5-ethyl-6-methyl-3-[4-(pyridin-4-ylmethyl)phenyl]-2-sulfanylidene-1H-thieno[2,3-d]pyrimidin-4-one Traditional Name: 5-ethyl-6-methyl-3-[4-(4-pyridylmethyl)phenyl]-2-thioxo-1H-thieno[2,3-d]pyrimidin-4-one Formula: C21H19N3OS2 MolecularWeight: 393.52506

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(SC2=C1C(=O)N(C(=S)N2)C3=CC=C(C=C3)CC4=CC=NC=C4)C

Isomeric SMILES

CCC1=C(SC2=C1C(=O)N(C(=S)N2)C3=CC=C(C=C3)CC4=CC=NC=C4)C

InChI

InChI=1S/C21H19N3OS2/c1-3-17-13(2)27-19-18(17)20(25)24(21(26)23-19)16-6-4-14(5-7-16)12-15-8-10-22-11-9-15/h4-11H,3,12H2,1-2H3,(H,23,26)