7-(3-azanylpropyl)-3-propyl-purine-2,6-dione

Systemtic Name: 7-(3-azanylpropyl)-3-propyl-purine-2,6-dione Openeye Name: 7-(3-aminopropyl)-3-propyl-purine-2,6-dione CAS Name: 7-(3-aminopropyl)-3-propylpurine-2,6-dione IUPAC Name: 7-(3-aminopropyl)-3-propylpurine-2,6-dione Traditional Name: 7-(3-aminopropyl)-3-propyl-xanthine Formula: C11H17N5O2 MolecularWeight: 251.28498

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C11H17N5O2/c1-2-5-16-9-8(10(17)14-11(16)18)15(7-13-9)6-3-4-12/h7H,2-6,12H2,1H3,(H,14,17,18)