1-(3-methylbutyl)-3-(2-methylpropyl)-8-phenyl-7H-purine-2,6-dione

Systemtic Name: 1-(3-methylbutyl)-3-(2-methylpropyl)-8-phenyl-7H-purine-2,6-dione Openeye Name: 3-isobutyl-1-isopentyl-8-phenyl-7H-purine-2,6-dione CAS Name: 1-(3-methylbutyl)-3-(2-methylpropyl)-8-phenyl-7H-purine-2,6-dione IUPAC Name: 1-(3-methylbutyl)-3-(2-methylpropyl)-8-phenyl-7H-purine-2,6-dione Traditional Name: 1-isoamyl-3-isobutyl-8-phenyl-7H-purine-2,6-quinone Formula: C20H26N4O2 MolecularWeight: 354.44604

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CCN1C(=O)C2=C(N=C(N2)C3=CC=CC=C3)N(C1=O)CC(C)C

Isomeric SMILES

CC(C)CCN1C(=O)C2=C(N=C(N2)C3=CC=CC=C3)N(C1=O)CC(C)C

InChI

InChI=1S/C20H26N4O2/c1-13(2)10-11-23-19(25)16-18(24(20(23)26)12-14(3)4)22-17(21-16)15-8-6-5-7-9-15/h5-9,13-14H,10-12H2,1-4H3,(H,21,22)