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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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