8-tert-butyl-1-propyl-3-(2-pyridin-4-ylethyl)-7H-purine-2,6-dione

Systemtic Name: 8-tert-butyl-1-propyl-3-(2-pyridin-4-ylethyl)-7H-purine-2,6-dione Openeye Name: 8-tert-butyl-1-propyl-3-[2-(4-pyridyl)ethyl]-7H-purine-2,6-dione CAS Name: 8-tert-butyl-1-propyl-3-(2-pyridin-4-ylethyl)-7H-purine-2,6-dione IUPAC Name: 8-tert-butyl-1-propyl-3-(2-pyridin-4-ylethyl)-7H-purine-2,6-dione Traditional Name: 8-tert-butyl-1-propyl-3-[2-(4-pyridyl)ethyl]-7H-purine-2,6-quinone Formula: C19H25N5O2 MolecularWeight: 355.4341

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Descriptors Computed from Structure

Canonical SMILES:

CCCN1C(=O)C2=C(N=C(N2)C(C)(C)C)N(C1=O)CCC3=CC=NC=C3

Isomeric SMILES

CCCN1C(=O)C2=C(N=C(N2)C(C)(C)C)N(C1=O)CCC3=CC=NC=C3

InChI

InChI=1S/C19H25N5O2/c1-5-11-24-16(25)14-15(22-17(21-14)19(2,3)4)23(18(24)26)12-8-13-6-9-20-10-7-13/h6-7,9-10H,5,8,11-12H2,1-4H3,(H,21,22)