3,7-dimethyl-1-[11-(octadecylamino)-10-oxidanyl-undecyl]purine-2,6-dione

Systemtic Name: 3,7-dimethyl-1-[11-(octadecylamino)-10-oxidanyl-undecyl]purine-2,6-dione Openeye Name: 1-[10-hydroxy-11-(octadecylamino)undecyl]-3,7-dimethyl-purine-2,6-dione CAS Name: 1-[10-hydroxy-11-(octadecylamino)undecyl]-3,7-dimethylpurine-2,6-dione IUPAC Name: 1-[10-hydroxy-11-(octadecylamino)undecyl]-3,7-dimethylpurine-2,6-dione Traditional Name: 1-[10-hydroxy-11-(stearylamino)undecyl]-3,7-dimethyl-xanthine Formula: C36H67N5O3 MolecularWeight: 617.94888

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCCCNCC(CCCCCCCCCN1C(=O)C2=C(N=CN2C)N(C1=O)C)O

Isomeric SMILES

CCCCCCCCCCCCCCCCCCNCC(CCCCCCCCCN1C(=O)C2=C(N=CN2C)N(C1=O)C)O

InChI

InChI=1S/C36H67N5O3/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-19-22-25-28-37-30-32(42)27-24-21-18-17-20-23-26-29-41-35(43)33-34(38-31-39(33)2)40(3)36(41)44/h31-32,37,42H,4-30H2,1-3H3