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

Systemtic Name: 1-[11-(hexadecylamino)-10-oxidanyl-undecyl]-3,7-dimethyl-purine-2,6-dione Openeye Name: 1-[11-(hexadecylamino)-10-hydroxy-undecyl]-3,7-dimethyl-purine-2,6-dione CAS Name: 1-[11-(hexadecylamino)-10-hydroxyundecyl]-3,7-dimethylpurine-2,6-dione IUPAC Name: 1-[11-(hexadecylamino)-10-hydroxyundecyl]-3,7-dimethylpurine-2,6-dione Traditional Name: 1-[11-(cetylamino)-10-hydroxy-undecyl]-3,7-dimethyl-xanthine Formula: C34H63N5O3 MolecularWeight: 589.89572

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C34H63N5O3/c1-4-5-6-7-8-9-10-11-12-13-14-17-20-23-26-35-28-30(40)25-22-19-16-15-18-21-24-27-39-33(41)31-32(36-29-37(31)2)38(3)34(39)42/h29-30,35,40H,4-28H2,1-3H3