1-hexyl-3-methyl-8-phenyl-7H-purine-2,6-dione

Systemtic Name: 1-hexyl-3-methyl-8-phenyl-7H-purine-2,6-dione Openeye Name: 1-hexyl-3-methyl-8-phenyl-7H-purine-2,6-dione CAS Name: 1-hexyl-3-methyl-8-phenyl-7H-purine-2,6-dione IUPAC Name: 1-hexyl-3-methyl-8-phenyl-7H-purine-2,6-dione Traditional Name: 1-hexyl-3-methyl-8-phenyl-7H-purine-2,6-quinone Formula: C18H22N4O2 MolecularWeight: 326.39288

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCN1C(=O)C2=C(N=C(N2)C3=CC=CC=C3)N(C1=O)C

Isomeric SMILES

CCCCCCN1C(=O)C2=C(N=C(N2)C3=CC=CC=C3)N(C1=O)C

InChI

InChI=1S/C18H22N4O2/c1-3-4-5-9-12-22-17(23)14-16(21(2)18(22)24)20-15(19-14)13-10-7-6-8-11-13/h6-8,10-11H,3-5,9,12H2,1-2H3,(H,19,20)