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

Systemtic Name: 3-methyl-7-(phenylmethyl)-8-pyrrolidin-1-yl-purine-2,6-dione Openeye Name: 7-benzyl-3-methyl-8-pyrrolidin-1-yl-purine-2,6-dione CAS Name: 3-methyl-7-(phenylmethyl)-8-(1-pyrrolidinyl)purine-2,6-dione IUPAC Name: 7-benzyl-3-methyl-8-pyrrolidin-1-ylpurine-2,6-dione Traditional Name: 7-benzyl-3-methyl-8-pyrrolidino-xanthine Formula: C17H19N5O2 MolecularWeight: 325.36506

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C(=O)NC1=O)N(C(=N2)N3CCCC3)CC4=CC=CC=C4

Isomeric SMILES

CN1C2=C(C(=O)NC1=O)N(C(=N2)N3CCCC3)CC4=CC=CC=C4

InChI

InChI=1S/C17H19N5O2/c1-20-14-13(15(23)19-17(20)24)22(11-12-7-3-2-4-8-12)16(18-14)21-9-5-6-10-21/h2-4,7-8H,5-6,9-11H2,1H3,(H,19,23,24)