3-cyclopropyl-7-(phenylmethyl)purine-2,6-dione

Systemtic Name: 3-cyclopropyl-7-(phenylmethyl)purine-2,6-dione Openeye Name: 7-benzyl-3-cyclopropyl-purine-2,6-dione CAS Name: 3-cyclopropyl-7-(phenylmethyl)purine-2,6-dione IUPAC Name: 7-benzyl-3-cyclopropylpurine-2,6-dione Traditional Name: 7-benzyl-3-cyclopropyl-xanthine Formula: C15H14N4O2 MolecularWeight: 282.29726

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Descriptors Computed from Structure

Canonical SMILES:

C1CC1N2C3=C(C(=O)NC2=O)N(C=N3)CC4=CC=CC=C4

Isomeric SMILES

C1CC1N2C3=C(C(=O)NC2=O)N(C=N3)CC4=CC=CC=C4

InChI

InChI=1S/C15H14N4O2/c20-14-12-13(19(11-6-7-11)15(21)17-14)16-9-18(12)8-10-4-2-1-3-5-10/h1-5,9,11H,6-8H2,(H,17,20,21)