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

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

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(N=C1N3CCCC3)N(C(=O)N(C2=O)CC4=CC=CC=C4)C

Isomeric SMILES

CN1C2=C(N=C1N3CCCC3)N(C(=O)N(C2=O)CC4=CC=CC=C4)C

InChI

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