2,4-dimethyl-6-(pyridin-3-ylmethyl)-7-thiophen-2-yl-purino[7,8-a]imidazole-1,3-dione

Systemtic Name: 2,4-dimethyl-6-(pyridin-3-ylmethyl)-7-thiophen-2-yl-purino[7,8-a]imidazole-1,3-dione Openeye Name: 2,4-dimethyl-6-(3-pyridylmethyl)-7-(2-thienyl)purino[7,8-a]imidazole-1,3-dione CAS Name: 2,4-dimethyl-6-(3-pyridinylmethyl)-7-thiophen-2-ylpurino[7,8-a]imidazole-1,3-dione IUPAC Name: 2,4-dimethyl-6-(pyridin-3-ylmethyl)-7-thiophen-2-ylpurino[7,8-a]imidazole-1,3-dione Traditional Name: 2,4-dimethyl-6-(3-pyridylmethyl)-7-(2-thienyl)purin[7,8-a]imidazole-1,3-quinone Formula: C19H16N6O2S MolecularWeight: 392.43434

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C(=O)N(C1=O)C)N3C=C(N(C3=N2)CC4=CN=CC=C4)C5=CC=CS5

Isomeric SMILES

CN1C2=C(C(=O)N(C1=O)C)N3C=C(N(C3=N2)CC4=CN=CC=C4)C5=CC=CS5

InChI

InChI=1S/C19H16N6O2S/c1-22-16-15(17(26)23(2)19(22)27)25-11-13(14-6-4-8-28-14)24(18(25)21-16)10-12-5-3-7-20-9-12/h3-9,11H,10H2,1-2H3