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

Systemtic Name: 3-butyl-7-cyclopentyl-8-pyridin-4-yl-purine-2,6-dione Openeye Name: 3-butyl-7-cyclopentyl-8-(4-pyridyl)purine-2,6-dione CAS Name: 3-butyl-7-cyclopentyl-8-pyridin-4-ylpurine-2,6-dione IUPAC Name: 3-butyl-7-cyclopentyl-8-pyridin-4-ylpurine-2,6-dione Traditional Name: 3-butyl-7-cyclopentyl-8-(4-pyridyl)xanthine Formula: C19H23N5O2 MolecularWeight: 353.41822

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN1C2=C(C(=O)NC1=O)N(C(=N2)C3=CC=NC=C3)C4CCCC4

Isomeric SMILES

CCCCN1C2=C(C(=O)NC1=O)N(C(=N2)C3=CC=NC=C3)C4CCCC4

InChI

InChI=1S/C19H23N5O2/c1-2-3-12-23-17-15(18(25)22-19(23)26)24(14-6-4-5-7-14)16(21-17)13-8-10-20-11-9-13/h8-11,14H,2-7,12H2,1H3,(H,22,25,26)