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

Systemtic Name: 4-methyl-2-octyl-7-phenyl-purino[8,7-b][1,3]oxazole-1,3-dione Openeye Name: 4-methyl-2-octyl-7-phenyl-purino[8,7-b]oxazole-1,3-dione CAS Name: 4-methyl-2-octyl-7-phenylpurino[8,7-b]oxazole-1,3-dione IUPAC Name: 4-methyl-2-octyl-7-phenylpurino[8,7-b][1,3]oxazole-1,3-dione Traditional Name: 4-methyl-2-octyl-7-phenyl-purino[8,7-b]oxazole-1,3-quinone Formula: C22H26N4O3 MolecularWeight: 394.46684

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H26N4O3/c1-3-4-5-6-7-11-14-25-20(27)18-19(24(2)22(25)28)23-21-26(18)15-17(29-21)16-12-9-8-10-13-16/h8-10,12-13,15H,3-7,11,14H2,1-2H3