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

Systemtic Name: 3-methyl-7-phenacyl-8-pyrrolidin-1-yl-purine-2,6-dione Openeye Name: 3-methyl-7-phenacyl-8-pyrrolidin-1-yl-purine-2,6-dione CAS Name: 3-methyl-7-phenacyl-8-(1-pyrrolidinyl)purine-2,6-dione IUPAC Name: 3-methyl-7-phenacyl-8-pyrrolidin-1-ylpurine-2,6-dione Traditional Name: 3-methyl-7-phenacyl-8-pyrrolidino-xanthine Formula: C18H19N5O3 MolecularWeight: 353.37516

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H19N5O3/c1-21-15-14(16(25)20-18(21)26)23(17(19-15)22-9-5-6-10-22)11-13(24)12-7-3-2-4-8-12/h2-4,7-8H,5-6,9-11H2,1H3,(H,20,25,26)