3-methyl-7-phenethyl-8-pyrrolidin-1-yl-purine-2,6-dione

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

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C(=O)NC1=O)N(C(=N2)N3CCCC3)CCC4=CC=CC=C4

Isomeric SMILES

CN1C2=C(C(=O)NC1=O)N(C(=N2)N3CCCC3)CCC4=CC=CC=C4

InChI

InChI=1S/C18H21N5O2/c1-21-15-14(16(24)20-18(21)25)23(12-9-13-7-3-2-4-8-13)17(19-15)22-10-5-6-11-22/h2-4,7-8H,5-6,9-12H2,1H3,(H,20,24,25)