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

Systemtic Name: 6-(2,3-dihydro-1,4-benzodioxin-6-yl)-2,4-dimethyl-7-thiophen-2-yl-purino[7,8-a]imidazole-1,3-dione Openeye Name: 6-(2,3-dihydro-1,4-benzodioxin-6-yl)-2,4-dimethyl-7-(2-thienyl)purino[7,8-a]imidazole-1,3-dione CAS Name: 6-(2,3-dihydro-1,4-benzodioxin-6-yl)-2,4-dimethyl-7-thiophen-2-ylpurino[7,8-a]imidazole-1,3-dione IUPAC Name: 6-(2,3-dihydro-1,4-benzodioxin-6-yl)-2,4-dimethyl-7-thiophen-2-ylpurino[7,8-a]imidazole-1,3-dione Traditional Name: 6-(2,3-dihydro-1,4-benzodioxin-6-yl)-2,4-dimethyl-7-(2-thienyl)purin[7,8-a]imidazole-1,3-quinone Formula: C21H17N5O4S MolecularWeight: 435.45578

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C(=O)N(C1=O)C)N3C=C(N(C3=N2)C4=CC5=C(C=C4)OCCO5)C6=CC=CS6

Isomeric SMILES

CN1C2=C(C(=O)N(C1=O)C)N3C=C(N(C3=N2)C4=CC5=C(C=C4)OCCO5)C6=CC=CS6

InChI

InChI=1S/C21H17N5O4S/c1-23-18-17(19(27)24(2)21(23)28)25-11-13(16-4-3-9-31-16)26(20(25)22-18)12-5-6-14-15(10-12)30-8-7-29-14/h3-6,9-11H,7-8H2,1-2H3