1,3-dimethyl-7-[2-[(phenylmethyl)amino]ethyl]purine-2,6-dione

Systemtic Name: 1,3-dimethyl-7-[2-[(phenylmethyl)amino]ethyl]purine-2,6-dione Openeye Name: 7-[2-(benzylamino)ethyl]-1,3-dimethyl-purine-2,6-dione CAS Name: 1,3-dimethyl-7-[2-[(phenylmethyl)amino]ethyl]purine-2,6-dione IUPAC Name: 7-[2-(benzylamino)ethyl]-1,3-dimethylpurine-2,6-dione Traditional Name: 7-[2-(benzylamino)ethyl]-1,3-dimethyl-xanthine Formula: C16H19N5O2 MolecularWeight: 313.35436

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C(=O)N(C1=O)C)N(C=N2)CCNCC3=CC=CC=C3

Isomeric SMILES

CN1C2=C(C(=O)N(C1=O)C)N(C=N2)CCNCC3=CC=CC=C3

InChI

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