3-butyl-7-pentyl-8-pyridin-4-yl-purine-2,6-dione

Systemtic Name: 3-butyl-7-pentyl-8-pyridin-4-yl-purine-2,6-dione Openeye Name: 3-butyl-7-pentyl-8-(4-pyridyl)purine-2,6-dione CAS Name: 3-butyl-7-pentyl-8-pyridin-4-ylpurine-2,6-dione IUPAC Name: 3-butyl-7-pentyl-8-pyridin-4-ylpurine-2,6-dione Traditional Name: 7-amyl-3-butyl-8-(4-pyridyl)xanthine Formula: C19H25N5O2 MolecularWeight: 355.4341

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCN1C2=C(N=C1C3=CC=NC=C3)N(C(=O)NC2=O)CCCC

Isomeric SMILES

CCCCCN1C2=C(N=C1C3=CC=NC=C3)N(C(=O)NC2=O)CCCC

InChI

InChI=1S/C19H25N5O2/c1-3-5-7-13-23-15-17(21-16(23)14-8-10-20-11-9-14)24(12-6-4-2)19(26)22-18(15)25/h8-11H,3-7,12-13H2,1-2H3,(H,22,25,26)