4-[[(2-chloranyl-7H-purin-6-yl)amino]methyl]benzene-1,2-diol

Systemtic Name: 4-[[(2-chloranyl-7H-purin-6-yl)amino]methyl]benzene-1,2-diol Openeye Name: 4-[[(2-chloro-7H-purin-6-yl)amino]methyl]benzene-1,2-diol CAS Name: 4-[[(2-chloro-7H-purin-6-yl)amino]methyl]benzene-1,2-diol IUPAC Name: 4-[[(2-chloro-7H-purin-6-yl)amino]methyl]benzene-1,2-diol Traditional Name: 4-[[(2-chloro-7H-purin-6-yl)amino]methyl]pyrocatechol Formula: C12H10ClN5O2 MolecularWeight: 291.6931

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=C(C=C1CNC2=NC(=NC3=C2NC=N3)Cl)O)O

Isomeric SMILES

C1=CC(=C(C=C1CNC2=NC(=NC3=C2NC=N3)Cl)O)O

InChI

InChI=1S/C12H10ClN5O2/c13-12-17-10(9-11(18-12)16-5-15-9)14-4-6-1-2-7(19)8(20)3-6/h1-3,5,19-20H,4H2,(H2,14,15,16,17,18)