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

Systemtic Name: 4-[2-[methyl(7H-purin-6-yl)amino]ethyl]benzene-1,2-diol Openeye Name: 4-[2-[methyl(7H-purin-6-yl)amino]ethyl]benzene-1,2-diol CAS Name: 4-[2-[methyl(7H-purin-6-yl)amino]ethyl]benzene-1,2-diol IUPAC Name: 4-[2-[methyl(7H-purin-6-yl)amino]ethyl]benzene-1,2-diol Traditional Name: 4-[2-[methyl(7H-purin-6-yl)amino]ethyl]pyrocatechol Formula: C14H15N5O2 MolecularWeight: 285.3012

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Descriptors Computed from Structure

Canonical SMILES:

CN(CCC1=CC(=C(C=C1)O)O)C2=NC=NC3=C2NC=N3

Isomeric SMILES

CN(CCC1=CC(=C(C=C1)O)O)C2=NC=NC3=C2NC=N3

InChI

InChI=1S/C14H15N5O2/c1-19(5-4-9-2-3-10(20)11(21)6-9)14-12-13(16-7-15-12)17-8-18-14/h2-3,6-8,20-21H,4-5H2,1H3,(H,15,16,17,18)