8-(6-chloranylpyridin-3-yl)-7-ethyl-1,3-dipropyl-4,5-dihydropurine-2,6-dione

Systemtic Name: 8-(6-chloranylpyridin-3-yl)-7-ethyl-1,3-dipropyl-4,5-dihydropurine-2,6-dione Openeye Name: 8-(6-chloro-3-pyridyl)-7-ethyl-1,3-dipropyl-4,5-dihydropurine-2,6-dione CAS Name: 8-(6-chloro-3-pyridinyl)-7-ethyl-1,3-dipropyl-4,5-dihydropurine-2,6-dione IUPAC Name: 8-(6-chloropyridin-3-yl)-7-ethyl-1,3-dipropyl-4,5-dihydropurine-2,6-dione Traditional Name: 8-(6-chloro-3-pyridyl)-7-ethyl-1,3-dipropyl-4,5-dihydropurine-2,6-quinone Formula: C18H24ClN5O2 MolecularWeight: 377.86846

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCN1C2C(C(=O)N(C1=O)CCC)N(C(=N2)C3=CN=C(C=C3)Cl)CC

Isomeric SMILES

CCCN1C2C(C(=O)N(C1=O)CCC)N(C(=N2)C3=CN=C(C=C3)Cl)CC

InChI

InChI=1S/C18H24ClN5O2/c1-4-9-23-16-14(17(25)24(10-5-2)18(23)26)22(6-3)15(21-16)12-7-8-13(19)20-11-12/h7-8,11,14,16H,4-6,9-10H2,1-3H3