3,7-dimethyl-1-[9-(tetradecylamino)nonyl]purine-2,6-dione

Systemtic Name: 3,7-dimethyl-1-[9-(tetradecylamino)nonyl]purine-2,6-dione Openeye Name: 3,7-dimethyl-1-[9-(tetradecylamino)nonyl]purine-2,6-dione CAS Name: 3,7-dimethyl-1-[9-(tetradecylamino)nonyl]purine-2,6-dione IUPAC Name: 3,7-dimethyl-1-[9-(tetradecylamino)nonyl]purine-2,6-dione Traditional Name: 3,7-dimethyl-1-[9-(myristylamino)nonyl]xanthine Formula: C30H55N5O2 MolecularWeight: 517.79

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCNCCCCCCCCCN1C(=O)C2=C(N=CN2C)N(C1=O)C

Isomeric SMILES

CCCCCCCCCCCCCCNCCCCCCCCCN1C(=O)C2=C(N=CN2C)N(C1=O)C

InChI

InChI=1S/C30H55N5O2/c1-4-5-6-7-8-9-10-11-12-14-17-20-23-31-24-21-18-15-13-16-19-22-25-35-29(36)27-28(32-26-33(27)2)34(3)30(35)37/h26,31H,4-25H2,1-3H3