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

Systemtic Name: 3-methoxy-6-[(7H-purin-6-ylamino)methyl]benzene-1,2-diol Openeye Name: 3-methoxy-6-[(7H-purin-6-ylamino)methyl]benzene-1,2-diol CAS Name: 3-methoxy-6-[(7H-purin-6-ylamino)methyl]benzene-1,2-diol IUPAC Name: 3-methoxy-6-[(7H-purin-6-ylamino)methyl]benzene-1,2-diol Traditional Name: 3-methoxy-6-[(7H-purin-6-ylamino)methyl]pyrocatechol Formula: C13H13N5O3 MolecularWeight: 287.27402

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C(=C(C=C1)CNC2=NC=NC3=C2NC=N3)O)O

Isomeric SMILES

COC1=C(C(=C(C=C1)CNC2=NC=NC3=C2NC=N3)O)O

InChI

InChI=1S/C13H13N5O3/c1-21-8-3-2-7(10(19)11(8)20)4-14-12-9-13(16-5-15-9)18-6-17-12/h2-3,5-6,19-20H,4H2,1H3,(H2,14,15,16,17,18)