9-butyl-8-cyclopropyl-1-methyl-3H-purine-2,6-dione

Systemtic Name: 9-butyl-8-cyclopropyl-1-methyl-3H-purine-2,6-dione Openeye Name: 9-butyl-8-cyclopropyl-1-methyl-3H-purine-2,6-dione CAS Name: 9-butyl-8-cyclopropyl-1-methyl-3H-purine-2,6-dione IUPAC Name: 9-butyl-8-cyclopropyl-1-methyl-3H-purine-2,6-dione Traditional Name: 9-butyl-8-cyclopropyl-1-methyl-xanthine Formula: C13H18N4O2 MolecularWeight: 262.30762

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN1C(=NC2=C1NC(=O)N(C2=O)C)C3CC3

Isomeric SMILES

CCCCN1C(=NC2=C1NC(=O)N(C2=O)C)C3CC3

InChI

InChI=1S/C13H18N4O2/c1-3-4-7-17-10(8-5-6-8)14-9-11(17)15-13(19)16(2)12(9)18/h8H,3-7H2,1-2H3,(H,15,19)