8-(2-chloranylpyridin-3-yl)-1,3-dipropyl-7H-purine-2,6-dione

Systemtic Name: 8-(2-chloranylpyridin-3-yl)-1,3-dipropyl-7H-purine-2,6-dione Openeye Name: 8-(2-chloro-3-pyridyl)-1,3-dipropyl-7H-purine-2,6-dione CAS Name: 8-(2-chloro-3-pyridinyl)-1,3-dipropyl-7H-purine-2,6-dione IUPAC Name: 8-(2-chloropyridin-3-yl)-1,3-dipropyl-7H-purine-2,6-dione Traditional Name: 8-(2-chloro-3-pyridyl)-1,3-dipropyl-7H-purine-2,6-quinone Formula: C16H18ClN5O2 MolecularWeight: 347.79942

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCN1C2=C(C(=O)N(C1=O)CCC)NC(=N2)C3=C(N=CC=C3)Cl

Isomeric SMILES

CCCN1C2=C(C(=O)N(C1=O)CCC)NC(=N2)C3=C(N=CC=C3)Cl

InChI

InChI=1S/C16H18ClN5O2/c1-3-8-21-14-11(15(23)22(9-4-2)16(21)24)19-13(20-14)10-6-5-7-18-12(10)17/h5-7H,3-4,8-9H2,1-2H3,(H,19,20)