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

Systemtic Name: 1,8-diethyl-3-(3-methylbutyl)-7H-purine-2,6-dione Openeye Name: 1,8-diethyl-3-isopentyl-7H-purine-2,6-dione CAS Name: 1,8-diethyl-3-(3-methylbutyl)-7H-purine-2,6-dione IUPAC Name: 1,8-diethyl-3-(3-methylbutyl)-7H-purine-2,6-dione Traditional Name: 1,8-diethyl-3-isoamyl-7H-purine-2,6-quinone Formula: C14H22N4O2 MolecularWeight: 278.35008

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=NC2=C(N1)C(=O)N(C(=O)N2CCC(C)C)CC

Isomeric SMILES

CCC1=NC2=C(N1)C(=O)N(C(=O)N2CCC(C)C)CC

InChI

InChI=1S/C14H22N4O2/c1-5-10-15-11-12(16-10)18(8-7-9(3)4)14(20)17(6-2)13(11)19/h9H,5-8H2,1-4H3,(H,15,16)