7-(4-chlorophenyl)-4-methyl-2-octyl-purino[8,7-b][1,3]oxazole-1,3-dione

Systemtic Name: 7-(4-chlorophenyl)-4-methyl-2-octyl-purino[8,7-b][1,3]oxazole-1,3-dione Openeye Name: 7-(4-chlorophenyl)-4-methyl-2-octyl-purino[8,7-b]oxazole-1,3-dione CAS Name: 7-(4-chlorophenyl)-4-methyl-2-octylpurino[8,7-b]oxazole-1,3-dione IUPAC Name: 7-(4-chlorophenyl)-4-methyl-2-octylpurino[8,7-b][1,3]oxazole-1,3-dione Traditional Name: 7-(4-chlorophenyl)-4-methyl-2-octyl-purino[8,7-b]oxazole-1,3-quinone Formula: C22H25ClN4O3 MolecularWeight: 428.9119

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCN1C(=O)C2=C(N=C3N2C=C(O3)C4=CC=C(C=C4)Cl)N(C1=O)C

Isomeric SMILES

CCCCCCCCN1C(=O)C2=C(N=C3N2C=C(O3)C4=CC=C(C=C4)Cl)N(C1=O)C

InChI

InChI=1S/C22H25ClN4O3/c1-3-4-5-6-7-8-13-26-20(28)18-19(25(2)22(26)29)24-21-27(18)14-17(30-21)15-9-11-16(23)12-10-15/h9-12,14H,3-8,13H2,1-2H3