1,3-dimethyl-7-[2-(octadecylamino)ethyl]purine-2,6-dione

Systemtic Name: 1,3-dimethyl-7-[2-(octadecylamino)ethyl]purine-2,6-dione Openeye Name: 1,3-dimethyl-7-[2-(octadecylamino)ethyl]purine-2,6-dione CAS Name: 1,3-dimethyl-7-[2-(octadecylamino)ethyl]purine-2,6-dione IUPAC Name: 1,3-dimethyl-7-[2-(octadecylamino)ethyl]purine-2,6-dione Traditional Name: 1,3-dimethyl-7-[2-(stearylamino)ethyl]xanthine Formula: C27H49N5O2 MolecularWeight: 475.71026

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCCCNCCN1C=NC2=C1C(=O)N(C(=O)N2C)C

Isomeric SMILES

CCCCCCCCCCCCCCCCCCNCCN1C=NC2=C1C(=O)N(C(=O)N2C)C

InChI

InChI=1S/C27H49N5O2/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-28-21-22-32-23-29-25-24(32)26(33)31(3)27(34)30(25)2/h23,28H,4-22H2,1-3H3