7-heptyl-1,3-dimethyl-8-(3-methylphenoxy)purine-2,6-dione

Systemtic Name: 7-heptyl-1,3-dimethyl-8-(3-methylphenoxy)purine-2,6-dione Openeye Name: 7-heptyl-1,3-dimethyl-8-(3-methylphenoxy)purine-2,6-dione CAS Name: 7-heptyl-1,3-dimethyl-8-(3-methylphenoxy)purine-2,6-dione IUPAC Name: 7-heptyl-1,3-dimethyl-8-(3-methylphenoxy)purine-2,6-dione Traditional Name: 7-heptyl-1,3-dimethyl-8-(3-methylphenoxy)xanthine Formula: C21H28N4O3 MolecularWeight: 384.47202

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H28N4O3/c1-5-6-7-8-9-13-25-17-18(23(3)21(27)24(4)19(17)26)22-20(25)28-16-12-10-11-15(2)14-16/h10-12,14H,5-9,13H2,1-4H3