3,9-dimethyl-8-[(phenylmethyl)amino]purine-2,6-dione

Systemtic Name: 3,9-dimethyl-8-[(phenylmethyl)amino]purine-2,6-dione Openeye Name: 8-(benzylamino)-3,9-dimethyl-purine-2,6-dione CAS Name: 3,9-dimethyl-8-[(phenylmethyl)amino]purine-2,6-dione IUPAC Name: 8-(benzylamino)-3,9-dimethylpurine-2,6-dione Traditional Name: 8-(benzylamino)-3,9-dimethyl-xanthine Formula: C14H15N5O2 MolecularWeight: 285.3012

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C(=O)NC1=O)N=C(N2C)NCC3=CC=CC=C3

Isomeric SMILES

CN1C2=C(C(=O)NC1=O)N=C(N2C)NCC3=CC=CC=C3

InChI

InChI=1S/C14H15N5O2/c1-18-12-10(11(20)17-14(21)19(12)2)16-13(18)15-8-9-6-4-3-5-7-9/h3-7H,8H2,1-2H3,(H,15,16)(H,17,20,21)