7-heptyl-1,3-dimethyl-8-phenoxy-purine-2,6-dione

Systemtic Name: 7-heptyl-1,3-dimethyl-8-phenoxy-purine-2,6-dione Openeye Name: 7-heptyl-1,3-dimethyl-8-phenoxy-purine-2,6-dione CAS Name: 7-heptyl-1,3-dimethyl-8-phenoxypurine-2,6-dione IUPAC Name: 7-heptyl-1,3-dimethyl-8-phenoxypurine-2,6-dione Traditional Name: 7-heptyl-1,3-dimethyl-8-phenoxy-xanthine Formula: C20H26N4O3 MolecularWeight: 370.44544

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCN1C2=C(N=C1OC3=CC=CC=C3)N(C(=O)N(C2=O)C)C

Isomeric SMILES

CCCCCCCN1C2=C(N=C1OC3=CC=CC=C3)N(C(=O)N(C2=O)C)C

InChI

InChI=1S/C20H26N4O3/c1-4-5-6-7-11-14-24-16-17(22(2)20(26)23(3)18(16)25)21-19(24)27-15-12-9-8-10-13-15/h8-10,12-13H,4-7,11,14H2,1-3H3