1,3-dimethyl-7-(phenylmethyl)-8-pyrrolidin-1-yl-purine-2,6-dione

Systemtic Name: 1,3-dimethyl-7-(phenylmethyl)-8-pyrrolidin-1-yl-purine-2,6-dione Openeye Name: 7-benzyl-1,3-dimethyl-8-pyrrolidin-1-yl-purine-2,6-dione CAS Name: 1,3-dimethyl-7-(phenylmethyl)-8-(1-pyrrolidinyl)purine-2,6-dione IUPAC Name: 7-benzyl-1,3-dimethyl-8-pyrrolidin-1-ylpurine-2,6-dione Traditional Name: 7-benzyl-1,3-dimethyl-8-pyrrolidino-xanthine Formula: C18H21N5O2 MolecularWeight: 339.39164

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C(=O)N(C1=O)C)N(C(=N2)N3CCCC3)CC4=CC=CC=C4

Isomeric SMILES

CN1C2=C(C(=O)N(C1=O)C)N(C(=N2)N3CCCC3)CC4=CC=CC=C4

InChI

InChI=1S/C18H21N5O2/c1-20-15-14(16(24)21(2)18(20)25)23(12-13-8-4-3-5-9-13)17(19-15)22-10-6-7-11-22/h3-5,8-9H,6-7,10-12H2,1-2H3