7-[(2-chlorophenyl)methyl]-3-methyl-8-pyrrolidin-1-yl-purine-2,6-dione

Systemtic Name: 7-[(2-chlorophenyl)methyl]-3-methyl-8-pyrrolidin-1-yl-purine-2,6-dione Openeye Name: 7-[(2-chlorophenyl)methyl]-3-methyl-8-pyrrolidin-1-yl-purine-2,6-dione CAS Name: 7-[(2-chlorophenyl)methyl]-3-methyl-8-(1-pyrrolidinyl)purine-2,6-dione IUPAC Name: 7-[(2-chlorophenyl)methyl]-3-methyl-8-pyrrolidin-1-ylpurine-2,6-dione Traditional Name: 7-(2-chlorobenzyl)-3-methyl-8-pyrrolidino-xanthine Formula: C17H18ClN5O2 MolecularWeight: 359.81012

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C(=O)NC1=O)N(C(=N2)N3CCCC3)CC4=CC=CC=C4Cl

Isomeric SMILES

CN1C2=C(C(=O)NC1=O)N(C(=N2)N3CCCC3)CC4=CC=CC=C4Cl

InChI

InChI=1S/C17H18ClN5O2/c1-21-14-13(15(24)20-17(21)25)23(10-11-6-2-3-7-12(11)18)16(19-14)22-8-4-5-9-22/h2-3,6-7H,4-5,8-10H2,1H3,(H,20,24,25)