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

Systemtic Name: 6-[(2-chlorophenyl)methyl]-2,4-dimethyl-7-thiophen-2-yl-purino[7,8-a]imidazole-1,3-dione Openeye Name: 6-[(2-chlorophenyl)methyl]-2,4-dimethyl-7-(2-thienyl)purino[7,8-a]imidazole-1,3-dione CAS Name: 6-[(2-chlorophenyl)methyl]-2,4-dimethyl-7-thiophen-2-ylpurino[7,8-a]imidazole-1,3-dione IUPAC Name: 6-[(2-chlorophenyl)methyl]-2,4-dimethyl-7-thiophen-2-ylpurino[7,8-a]imidazole-1,3-dione Traditional Name: 6-(2-chlorobenzyl)-2,4-dimethyl-7-(2-thienyl)purin[7,8-a]imidazole-1,3-quinone Formula: C20H16ClN5O2S MolecularWeight: 425.89134

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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=C4Cl)C5=CC=CS5

Isomeric SMILES

CN1C2=C(C(=O)N(C1=O)C)N3C=C(N(C3=N2)CC4=CC=CC=C4Cl)C5=CC=CS5

InChI

InChI=1S/C20H16ClN5O2S/c1-23-17-16(18(27)24(2)20(23)28)26-11-14(15-8-5-9-29-15)25(19(26)22-17)10-12-6-3-4-7-13(12)21/h3-9,11H,10H2,1-2H3