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

Systemtic Name: 8-(3-chloranylpropyl)-1,3-dipropyl-7H-purine-2,6-dione Openeye Name: 8-(3-chloropropyl)-1,3-dipropyl-7H-purine-2,6-dione CAS Name: 8-(3-chloropropyl)-1,3-dipropyl-7H-purine-2,6-dione IUPAC Name: 8-(3-chloropropyl)-1,3-dipropyl-7H-purine-2,6-dione Traditional Name: 8-(3-chloropropyl)-1,3-dipropyl-7H-purine-2,6-quinone Formula: C14H21ClN4O2 MolecularWeight: 312.79514

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H21ClN4O2/c1-3-8-18-12-11(16-10(17-12)6-5-7-15)13(20)19(9-4-2)14(18)21/h3-9H2,1-2H3,(H,16,17)