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

Systemtic Name: 2,4-dimethyl-6-phenethyl-7-thiophen-2-yl-purino[7,8-a]imidazole-1,3-dione Openeye Name: 2,4-dimethyl-6-phenethyl-7-(2-thienyl)purino[7,8-a]imidazole-1,3-dione CAS Name: 2,4-dimethyl-6-phenethyl-7-thiophen-2-ylpurino[7,8-a]imidazole-1,3-dione IUPAC Name: 2,4-dimethyl-6-phenethyl-7-thiophen-2-ylpurino[7,8-a]imidazole-1,3-dione Traditional Name: 2,4-dimethyl-6-phenethyl-7-(2-thienyl)purin[7,8-a]imidazole-1,3-quinone Formula: C21H19N5O2S MolecularWeight: 405.47286

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C(=O)N(C1=O)C)N3C=C(N(C3=N2)CCC4=CC=CC=C4)C5=CC=CS5

Isomeric SMILES

CN1C2=C(C(=O)N(C1=O)C)N3C=C(N(C3=N2)CCC4=CC=CC=C4)C5=CC=CS5

InChI

InChI=1S/C21H19N5O2S/c1-23-18-17(19(27)24(2)21(23)28)26-13-15(16-9-6-12-29-16)25(20(26)22-18)11-10-14-7-4-3-5-8-14/h3-9,12-13H,10-11H2,1-2H3