3-methyl-1,7-bis(1-oxidanylpentadecyl)purine-2,6-dione

Systemtic Name: 3-methyl-1,7-bis(1-oxidanylpentadecyl)purine-2,6-dione Openeye Name: 1,7-bis(1-hydroxypentadecyl)-3-methyl-purine-2,6-dione CAS Name: 1,7-bis(1-hydroxypentadecyl)-3-methylpurine-2,6-dione IUPAC Name: 1,7-bis(1-hydroxypentadecyl)-3-methylpurine-2,6-dione Traditional Name: 1,7-bis(1-hydroxypentadecyl)-3-methyl-xanthine Formula: C36H66N4O4 MolecularWeight: 618.93364

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCC(N1C=NC2=C1C(=O)N(C(=O)N2C)C(CCCCCCCCCCCCCC)O)O

Isomeric SMILES

CCCCCCCCCCCCCCC(N1C=NC2=C1C(=O)N(C(=O)N2C)C(CCCCCCCCCCCCCC)O)O

InChI

InChI=1S/C36H66N4O4/c1-4-6-8-10-12-14-16-18-20-22-24-26-28-31(41)39-30-37-34-33(39)35(43)40(36(44)38(34)3)32(42)29-27-25-23-21-19-17-15-13-11-9-7-5-2/h30-32,41-42H,4-29H2,1-3H3