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

Systemtic Name: 3,7-dimethyl-1-(phenylmethyl)-8-[(phenylmethyl)amino]purine-2,6-dione Openeye Name: 1-benzyl-8-(benzylamino)-3,7-dimethyl-purine-2,6-dione CAS Name: 3,7-dimethyl-1-(phenylmethyl)-8-[(phenylmethyl)amino]purine-2,6-dione IUPAC Name: 1-benzyl-8-(benzylamino)-3,7-dimethylpurine-2,6-dione Traditional Name: 1-benzyl-8-(benzylamino)-3,7-dimethyl-xanthine Formula: C21H21N5O2 MolecularWeight: 375.42374

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(N=C1NCC3=CC=CC=C3)N(C(=O)N(C2=O)CC4=CC=CC=C4)C

Isomeric SMILES

CN1C2=C(N=C1NCC3=CC=CC=C3)N(C(=O)N(C2=O)CC4=CC=CC=C4)C

InChI

InChI=1S/C21H21N5O2/c1-24-17-18(23-20(24)22-13-15-9-5-3-6-10-15)25(2)21(28)26(19(17)27)14-16-11-7-4-8-12-16/h3-12H,13-14H2,1-2H3,(H,22,23)