1,3-dibutyl-7-propan-2-yl-purine-2,6-dione

Systemtic Name: 1,3-dibutyl-7-propan-2-yl-purine-2,6-dione Openeye Name: 1,3-dibutyl-7-isopropyl-purine-2,6-dione CAS Name: 1,3-dibutyl-7-propan-2-ylpurine-2,6-dione IUPAC Name: 1,3-dibutyl-7-propan-2-ylpurine-2,6-dione Traditional Name: 1,3-dibutyl-7-isopropyl-xanthine Formula: C16H26N4O2 MolecularWeight: 306.40324

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN1C2=C(C(=O)N(C1=O)CCCC)N(C=N2)C(C)C

Isomeric SMILES

CCCCN1C2=C(C(=O)N(C1=O)CCCC)N(C=N2)C(C)C

InChI

InChI=1S/C16H26N4O2/c1-5-7-9-18-14-13(20(11-17-14)12(3)4)15(21)19(16(18)22)10-8-6-2/h11-12H,5-10H2,1-4H3