7-(4-azanylbutyl)-3-propyl-purine-2,6-dione

Systemtic Name: 7-(4-azanylbutyl)-3-propyl-purine-2,6-dione Openeye Name: 7-(4-aminobutyl)-3-propyl-purine-2,6-dione CAS Name: 7-(4-aminobutyl)-3-propylpurine-2,6-dione IUPAC Name: 7-(4-aminobutyl)-3-propylpurine-2,6-dione Traditional Name: 7-(4-aminobutyl)-3-propyl-xanthine Formula: C12H19N5O2 MolecularWeight: 265.31156

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Descriptors Computed from Structure

Canonical SMILES:

CCCN1C2=C(C(=O)NC1=O)N(C=N2)CCCCN

Isomeric SMILES

CCCN1C2=C(C(=O)NC1=O)N(C=N2)CCCCN

InChI

InChI=1S/C12H19N5O2/c1-2-6-17-10-9(11(18)15-12(17)19)16(8-14-10)7-4-3-5-13/h8H,2-7,13H2,1H3,(H,15,18,19)