4,6-bis(chloranyl)-2-[(7H-purin-6-ylamino)methyl]benzene-1,3-diol

Systemtic Name: 4,6-bis(chloranyl)-2-[(7H-purin-6-ylamino)methyl]benzene-1,3-diol Openeye Name: 4,6-dichloro-2-[(7H-purin-6-ylamino)methyl]benzene-1,3-diol CAS Name: 4,6-dichloro-2-[(7H-purin-6-ylamino)methyl]benzene-1,3-diol IUPAC Name: 4,6-dichloro-2-[(7H-purin-6-ylamino)methyl]benzene-1,3-diol Traditional Name: 4,6-dichloro-2-[(7H-purin-6-ylamino)methyl]resorcinol Formula: C12H9Cl2N5O2 MolecularWeight: 326.13816

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=C(C(=C(C(=C1Cl)O)CNC2=NC=NC3=C2NC=N3)O)Cl

Isomeric SMILES

C1=C(C(=C(C(=C1Cl)O)CNC2=NC=NC3=C2NC=N3)O)Cl

InChI

InChI=1S/C12H9Cl2N5O2/c13-6-1-7(14)10(21)5(9(6)20)2-15-11-8-12(17-3-16-8)19-4-18-11/h1,3-4,20-21H,2H2,(H2,15,16,17,18,19)