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

Systemtic Name: 3-methyl-7-octyl-8-pyrrolidin-1-yl-purine-2,6-dione Openeye Name: 3-methyl-7-octyl-8-pyrrolidin-1-yl-purine-2,6-dione CAS Name: 3-methyl-7-octyl-8-(1-pyrrolidinyl)purine-2,6-dione IUPAC Name: 3-methyl-7-octyl-8-pyrrolidin-1-ylpurine-2,6-dione Traditional Name: 3-methyl-7-octyl-8-pyrrolidino-xanthine Formula: C18H29N5O2 MolecularWeight: 347.45516

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCN1C2=C(N=C1N3CCCC3)N(C(=O)NC2=O)C

Isomeric SMILES

CCCCCCCCN1C2=C(N=C1N3CCCC3)N(C(=O)NC2=O)C

InChI

InChI=1S/C18H29N5O2/c1-3-4-5-6-7-8-13-23-14-15(21(2)18(25)20-16(14)24)19-17(23)22-11-9-10-12-22/h3-13H2,1-2H3,(H,20,24,25)