7-ethyl-1,3-dimethyl-8-[(phenylmethyl)amino]purine-2,6-dione

Systemtic Name: 7-ethyl-1,3-dimethyl-8-[(phenylmethyl)amino]purine-2,6-dione Openeye Name: 8-(benzylamino)-7-ethyl-1,3-dimethyl-purine-2,6-dione CAS Name: 7-ethyl-1,3-dimethyl-8-[(phenylmethyl)amino]purine-2,6-dione IUPAC Name: 8-(benzylamino)-7-ethyl-1,3-dimethylpurine-2,6-dione Traditional Name: 8-(benzylamino)-7-ethyl-1,3-dimethyl-xanthine Formula: C16H19N5O2 MolecularWeight: 313.35436

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C2=C(N=C1NCC3=CC=CC=C3)N(C(=O)N(C2=O)C)C

Isomeric SMILES

CCN1C2=C(N=C1NCC3=CC=CC=C3)N(C(=O)N(C2=O)C)C

InChI

InChI=1S/C16H19N5O2/c1-4-21-12-13(19(2)16(23)20(3)14(12)22)18-15(21)17-10-11-8-6-5-7-9-11/h5-9H,4,10H2,1-3H3,(H,17,18)