7-(cyclopentylmethyl)-3H-purine-2,6-dione

Systemtic Name: 7-(cyclopentylmethyl)-3H-purine-2,6-dione Openeye Name: 7-(cyclopentylmethyl)-3H-purine-2,6-dione CAS Name: 7-(cyclopentylmethyl)-3H-purine-2,6-dione IUPAC Name: 7-(cyclopentylmethyl)-3H-purine-2,6-dione Traditional Name: 7-(cyclopentylmethyl)xanthine Formula: C11H14N4O2 MolecularWeight: 234.25446

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(C1)CN2C=NC3=C2C(=O)NC(=O)N3

Isomeric SMILES

C1CCC(C1)CN2C=NC3=C2C(=O)NC(=O)N3

InChI

InChI=1S/C11H14N4O2/c16-10-8-9(13-11(17)14-10)12-6-15(8)5-7-3-1-2-4-7/h6-7H,1-5H2,(H2,13,14,16,17)