1,3-dimethyl-8-(methylamino)-7-(3-phenylpropyl)purine-2,6-dione

Systemtic Name: 1,3-dimethyl-8-(methylamino)-7-(3-phenylpropyl)purine-2,6-dione Openeye Name: 1,3-dimethyl-8-(methylamino)-7-(3-phenylpropyl)purine-2,6-dione CAS Name: 1,3-dimethyl-8-(methylamino)-7-(3-phenylpropyl)purine-2,6-dione IUPAC Name: 1,3-dimethyl-8-(methylamino)-7-(3-phenylpropyl)purine-2,6-dione Traditional Name: 1,3-dimethyl-8-(methylamino)-7-(3-phenylpropyl)xanthine Formula: C17H21N5O2 MolecularWeight: 327.38094

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H21N5O2/c1-18-16-19-14-13(15(23)21(3)17(24)20(14)2)22(16)11-7-10-12-8-5-4-6-9-12/h4-6,8-9H,7,10-11H2,1-3H3,(H,18,19)