3-methyl-7-(3-phenylpropyl)purine-2,6-dione

Systemtic Name: 3-methyl-7-(3-phenylpropyl)purine-2,6-dione Openeye Name: 3-methyl-7-(3-phenylpropyl)purine-2,6-dione CAS Name: 3-methyl-7-(3-phenylpropyl)purine-2,6-dione IUPAC Name: 3-methyl-7-(3-phenylpropyl)purine-2,6-dione Traditional Name: 3-methyl-7-(3-phenylpropyl)xanthine Formula: C15H16N4O2 MolecularWeight: 284.31314

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C(=O)NC1=O)N(C=N2)CCCC3=CC=CC=C3

Isomeric SMILES

CN1C2=C(C(=O)NC1=O)N(C=N2)CCCC3=CC=CC=C3

InChI

InChI=1S/C15H16N4O2/c1-18-13-12(14(20)17-15(18)21)19(10-16-13)9-5-8-11-6-3-2-4-7-11/h2-4,6-7,10H,5,8-9H2,1H3,(H,17,20,21)