8-(2-azanyl-4-chloranyl-phenyl)-3-(2-hydroxyethyl)-1-methyl-7H-purine-2,6-dione

Systemtic Name: 8-(2-azanyl-4-chloranyl-phenyl)-3-(2-hydroxyethyl)-1-methyl-7H-purine-2,6-dione Openeye Name: 8-(2-amino-4-chloro-phenyl)-3-(2-hydroxyethyl)-1-methyl-7H-purine-2,6-dione CAS Name: 8-(2-amino-4-chlorophenyl)-3-(2-hydroxyethyl)-1-methyl-7H-purine-2,6-dione IUPAC Name: 8-(2-amino-4-chlorophenyl)-3-(2-hydroxyethyl)-1-methyl-7H-purine-2,6-dione Traditional Name: 8-(2-amino-4-chloro-phenyl)-3-(2-hydroxyethyl)-1-methyl-7H-purine-2,6-quinone Formula: C14H14ClN5O3 MolecularWeight: 335.74566

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(=O)C2=C(N=C(N2)C3=C(C=C(C=C3)Cl)N)N(C1=O)CCO

Isomeric SMILES

CN1C(=O)C2=C(N=C(N2)C3=C(C=C(C=C3)Cl)N)N(C1=O)CCO

InChI

InChI=1S/C14H14ClN5O3/c1-19-13(22)10-12(20(4-5-21)14(19)23)18-11(17-10)8-3-2-7(15)6-9(8)16/h2-3,6,21H,4-5,16H2,1H3,(H,17,18)