3-butyl-7-propyl-8-pyridin-2-yl-purine-2,6-dione

Systemtic Name: 3-butyl-7-propyl-8-pyridin-2-yl-purine-2,6-dione Openeye Name: 3-butyl-7-propyl-8-(2-pyridyl)purine-2,6-dione CAS Name: 3-butyl-7-propyl-8-(2-pyridinyl)purine-2,6-dione IUPAC Name: 3-butyl-7-propyl-8-pyridin-2-ylpurine-2,6-dione Traditional Name: 3-butyl-7-propyl-8-(2-pyridyl)xanthine Formula: C17H21N5O2 MolecularWeight: 327.38094

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN1C2=C(C(=O)NC1=O)N(C(=N2)C3=CC=CC=N3)CCC

Isomeric SMILES

CCCCN1C2=C(C(=O)NC1=O)N(C(=N2)C3=CC=CC=N3)CCC

InChI

InChI=1S/C17H21N5O2/c1-3-5-11-22-15-13(16(23)20-17(22)24)21(10-4-2)14(19-15)12-8-6-7-9-18-12/h6-9H,3-5,10-11H2,1-2H3,(H,20,23,24)