3-methyl-8-(methylamino)-7-(3-phenylpropyl)purine-2,6-dione

Systemtic Name: 3-methyl-8-(methylamino)-7-(3-phenylpropyl)purine-2,6-dione Openeye Name: 3-methyl-8-(methylamino)-7-(3-phenylpropyl)purine-2,6-dione CAS Name: 3-methyl-8-(methylamino)-7-(3-phenylpropyl)purine-2,6-dione IUPAC Name: 3-methyl-8-(methylamino)-7-(3-phenylpropyl)purine-2,6-dione Traditional Name: 3-methyl-8-(methylamino)-7-(3-phenylpropyl)xanthine Formula: C16H19N5O2 MolecularWeight: 313.35436

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Descriptors Computed from Structure

Canonical SMILES:

CNC1=NC2=C(N1CCCC3=CC=CC=C3)C(=O)NC(=O)N2C

Isomeric SMILES

CNC1=NC2=C(N1CCCC3=CC=CC=C3)C(=O)NC(=O)N2C

InChI

InChI=1S/C16H19N5O2/c1-17-15-18-13-12(14(22)19-16(23)20(13)2)21(15)10-6-9-11-7-4-3-5-8-11/h3-5,7-8H,6,9-10H2,1-2H3,(H,17,18)(H,19,22,23)