1-methyl-8-phenyl-9-propyl-3H-purine-2,6-dione

Systemtic Name: 1-methyl-8-phenyl-9-propyl-3H-purine-2,6-dione Openeye Name: 1-methyl-8-phenyl-9-propyl-3H-purine-2,6-dione CAS Name: 1-methyl-8-phenyl-9-propyl-3H-purine-2,6-dione IUPAC Name: 1-methyl-8-phenyl-9-propyl-3H-purine-2,6-dione Traditional Name: 1-methyl-8-phenyl-9-propyl-xanthine Formula: C15H16N4O2 MolecularWeight: 284.31314

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Descriptors Computed from Structure

Canonical SMILES:

CCCN1C2=C(C(=O)N(C(=O)N2)C)N=C1C3=CC=CC=C3

Isomeric SMILES

CCCN1C2=C(C(=O)N(C(=O)N2)C)N=C1C3=CC=CC=C3

InChI

InChI=1S/C15H16N4O2/c1-3-9-19-12(10-7-5-4-6-8-10)16-11-13(19)17-15(21)18(2)14(11)20/h4-8H,3,9H2,1-2H3,(H,17,21)