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

Systemtic Name: 3-butyl-7-(phenylmethyl)purine-2,6-dione Openeye Name: 7-benzyl-3-butyl-purine-2,6-dione CAS Name: 3-butyl-7-(phenylmethyl)purine-2,6-dione IUPAC Name: 7-benzyl-3-butylpurine-2,6-dione Traditional Name: 7-benzyl-3-butyl-xanthine Formula: C16H18N4O2 MolecularWeight: 298.33972

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN1C2=C(C(=O)NC1=O)N(C=N2)CC3=CC=CC=C3

Isomeric SMILES

CCCCN1C2=C(C(=O)NC1=O)N(C=N2)CC3=CC=CC=C3

InChI

InChI=1S/C16H18N4O2/c1-2-3-9-20-14-13(15(21)18-16(20)22)19(11-17-14)10-12-7-5-4-6-8-12/h4-8,11H,2-3,9-10H2,1H3,(H,18,21,22)