1,3-dimethyl-8-(3-methylphenoxy)-7-octyl-4,5-dihydropurine-2,6-dione

Systemtic Name: 1,3-dimethyl-8-(3-methylphenoxy)-7-octyl-4,5-dihydropurine-2,6-dione Openeye Name: 1,3-dimethyl-8-(3-methylphenoxy)-7-octyl-4,5-dihydropurine-2,6-dione CAS Name: 1,3-dimethyl-8-(3-methylphenoxy)-7-octyl-4,5-dihydropurine-2,6-dione IUPAC Name: 1,3-dimethyl-8-(3-methylphenoxy)-7-octyl-4,5-dihydropurine-2,6-dione Traditional Name: 1,3-dimethyl-8-(3-methylphenoxy)-7-octyl-4,5-dihydropurine-2,6-quinone Formula: C22H32N4O3 MolecularWeight: 400.51448

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCN1C2C(N=C1OC3=CC=CC(=C3)C)N(C(=O)N(C2=O)C)C

Isomeric SMILES

CCCCCCCCN1C2C(N=C1OC3=CC=CC(=C3)C)N(C(=O)N(C2=O)C)C

InChI

InChI=1S/C22H32N4O3/c1-5-6-7-8-9-10-14-26-18-19(24(3)22(28)25(4)20(18)27)23-21(26)29-17-13-11-12-16(2)15-17/h11-13,15,18-19H,5-10,14H2,1-4H3