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

Systemtic Name: 3-methyl-1,7-bis(1-oxidanyldecyl)purine-2,6-dione Openeye Name: 1,7-bis(1-hydroxydecyl)-3-methyl-purine-2,6-dione CAS Name: 1,7-bis(1-hydroxydecyl)-3-methylpurine-2,6-dione IUPAC Name: 1,7-bis(1-hydroxydecyl)-3-methylpurine-2,6-dione Traditional Name: 1,7-bis(1-hydroxydecyl)-3-methyl-xanthine Formula: C26H46N4O4 MolecularWeight: 478.66784

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCC(N1C=NC2=C1C(=O)N(C(=O)N2C)C(CCCCCCCCC)O)O

Isomeric SMILES

CCCCCCCCCC(N1C=NC2=C1C(=O)N(C(=O)N2C)C(CCCCCCCCC)O)O

InChI

InChI=1S/C26H46N4O4/c1-4-6-8-10-12-14-16-18-21(31)29-20-27-24-23(29)25(33)30(26(34)28(24)3)22(32)19-17-15-13-11-9-7-5-2/h20-22,31-32H,4-19H2,1-3H3