7-butan-2-yl-1,8-diethyl-3H-purine-2,6-dione

Systemtic Name: 7-butan-2-yl-1,8-diethyl-3H-purine-2,6-dione Openeye Name: 1,8-diethyl-7-sec-butyl-3H-purine-2,6-dione CAS Name: 7-butan-2-yl-1,8-diethyl-3H-purine-2,6-dione IUPAC Name: 7-butan-2-yl-1,8-diethyl-3H-purine-2,6-dione Traditional Name: 1,8-diethyl-7-sec-butyl-xanthine Formula: C13H20N4O2 MolecularWeight: 264.3235

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=NC2=C(N1C(C)CC)C(=O)N(C(=O)N2)CC

Isomeric SMILES

CCC1=NC2=C(N1C(C)CC)C(=O)N(C(=O)N2)CC

InChI

InChI=1S/C13H20N4O2/c1-5-8(4)17-9(6-2)14-11-10(17)12(18)16(7-3)13(19)15-11/h8H,5-7H2,1-4H3,(H,15,19)