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

Systemtic Name: 2,4-dimethyl-6-(phenylmethyl)-7-thiophen-2-yl-purino[7,8-a]imidazole-1,3-dione Openeye Name: 6-benzyl-2,4-dimethyl-7-(2-thienyl)purino[7,8-a]imidazole-1,3-dione CAS Name: 2,4-dimethyl-6-(phenylmethyl)-7-thiophen-2-ylpurino[7,8-a]imidazole-1,3-dione IUPAC Name: 6-benzyl-2,4-dimethyl-7-thiophen-2-ylpurino[7,8-a]imidazole-1,3-dione Traditional Name: 6-benzyl-2,4-dimethyl-7-(2-thienyl)purin[7,8-a]imidazole-1,3-quinone Formula: C20H17N5O2S MolecularWeight: 391.44628

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H17N5O2S/c1-22-17-16(18(26)23(2)20(22)27)25-12-14(15-9-6-10-28-15)24(19(25)21-17)11-13-7-4-3-5-8-13/h3-10,12H,11H2,1-2H3