6-(1,3-benzodioxol-5-yl)-2,4-dimethyl-7-thiophen-2-yl-purino[7,8-a]imidazole-1,3-dione

Systemtic Name: 6-(1,3-benzodioxol-5-yl)-2,4-dimethyl-7-thiophen-2-yl-purino[7,8-a]imidazole-1,3-dione Openeye Name: 6-(1,3-benzodioxol-5-yl)-2,4-dimethyl-7-(2-thienyl)purino[7,8-a]imidazole-1,3-dione CAS Name: 6-(1,3-benzodioxol-5-yl)-2,4-dimethyl-7-thiophen-2-ylpurino[7,8-a]imidazole-1,3-dione IUPAC Name: 6-(1,3-benzodioxol-5-yl)-2,4-dimethyl-7-thiophen-2-ylpurino[7,8-a]imidazole-1,3-dione Traditional Name: 6-(1,3-benzodioxol-5-yl)-2,4-dimethyl-7-(2-thienyl)purin[7,8-a]imidazole-1,3-quinone Formula: C20H15N5O4S MolecularWeight: 421.4292

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C(=O)N(C1=O)C)N3C=C(N(C3=N2)C4=CC5=C(C=C4)OCO5)C6=CC=CS6

Isomeric SMILES

CN1C2=C(C(=O)N(C1=O)C)N3C=C(N(C3=N2)C4=CC5=C(C=C4)OCO5)C6=CC=CS6

InChI

InChI=1S/C20H15N5O4S/c1-22-17-16(18(26)23(2)20(22)27)24-9-12(15-4-3-7-30-15)25(19(24)21-17)11-5-6-13-14(8-11)29-10-28-13/h3-9H,10H2,1-2H3