1-[(4-chloranylphenoxy)methyl]-3-methyl-7H-purine-2,6-dione

Systemtic Name: 1-[(4-chloranylphenoxy)methyl]-3-methyl-7H-purine-2,6-dione Openeye Name: 1-[(4-chlorophenoxy)methyl]-3-methyl-7H-purine-2,6-dione CAS Name: 1-[(4-chlorophenoxy)methyl]-3-methyl-7H-purine-2,6-dione IUPAC Name: 1-[(4-chlorophenoxy)methyl]-3-methyl-7H-purine-2,6-dione Traditional Name: 1-[(4-chlorophenoxy)methyl]-3-methyl-7H-purine-2,6-quinone Formula: C13H11ClN4O3 MolecularWeight: 306.70444

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C(=O)N(C1=O)COC3=CC=C(C=C3)Cl)NC=N2

Isomeric SMILES

CN1C2=C(C(=O)N(C1=O)COC3=CC=C(C=C3)Cl)NC=N2

InChI

InChI=1S/C13H11ClN4O3/c1-17-11-10(15-6-16-11)12(19)18(13(17)20)7-21-9-4-2-8(14)3-5-9/h2-6H,7H2,1H3,(H,15,16)