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

Systemtic Name: 8-(2-chloroethylamino)-1,3-dipropyl-7H-purine-2,6-dione Openeye Name: 8-(2-chloroethylamino)-1,3-dipropyl-7H-purine-2,6-dione CAS Name: 8-(2-chloroethylamino)-1,3-dipropyl-7H-purine-2,6-dione IUPAC Name: 8-(2-chloroethylamino)-1,3-dipropyl-7H-purine-2,6-dione Traditional Name: 8-(2-chloroethylamino)-1,3-dipropyl-7H-purine-2,6-quinone Formula: C13H20ClN5O2 MolecularWeight: 313.7832

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Descriptors Computed from Structure

Canonical SMILES:

CCCN1C2=C(C(=O)N(C1=O)CCC)NC(=N2)NCCCl

Isomeric SMILES

CCCN1C2=C(C(=O)N(C1=O)CCC)NC(=N2)NCCCl

InChI

InChI=1S/C13H20ClN5O2/c1-3-7-18-10-9(16-12(17-10)15-6-5-14)11(20)19(8-4-2)13(18)21/h3-8H2,1-2H3,(H2,15,16,17)