3,7-dibutyl-8-pyridin-3-yl-purine-2,6-dione

Systemtic Name: 3,7-dibutyl-8-pyridin-3-yl-purine-2,6-dione Openeye Name: 3,7-dibutyl-8-(3-pyridyl)purine-2,6-dione CAS Name: 3,7-dibutyl-8-(3-pyridinyl)purine-2,6-dione IUPAC Name: 3,7-dibutyl-8-pyridin-3-ylpurine-2,6-dione Traditional Name: 3,7-dibutyl-8-(3-pyridyl)xanthine Formula: C18H23N5O2 MolecularWeight: 341.40752

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN1C2=C(N=C1C3=CN=CC=C3)N(C(=O)NC2=O)CCCC

Isomeric SMILES

CCCCN1C2=C(N=C1C3=CN=CC=C3)N(C(=O)NC2=O)CCCC

InChI

InChI=1S/C18H23N5O2/c1-3-5-10-22-14-16(20-15(22)13-8-7-9-19-12-13)23(11-6-4-2)18(25)21-17(14)24/h7-9,12H,3-6,10-11H2,1-2H3,(H,21,24,25)