5-[[2,4-bis(azanyl)pyrimidin-5-yl]methyl]-3-methoxy-benzene-1,2-diol

Systemtic Name: 5-[[2,4-bis(azanyl)pyrimidin-5-yl]methyl]-3-methoxy-benzene-1,2-diol Openeye Name: 5-[(2,4-diaminopyrimidin-5-yl)methyl]-3-methoxy-benzene-1,2-diol CAS Name: 5-[(2,4-diamino-5-pyrimidinyl)methyl]-3-methoxybenzene-1,2-diol IUPAC Name: 5-[(2,4-diaminopyrimidin-5-yl)methyl]-3-methoxybenzene-1,2-diol Traditional Name: 5-[(2,4-diaminopyrimidin-5-yl)methyl]-3-methoxy-pyrocatechol Formula: C12H14N4O3 MolecularWeight: 262.26456

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=CC(=C1O)O)CC2=CN=C(N=C2N)N

Isomeric SMILES

COC1=CC(=CC(=C1O)O)CC2=CN=C(N=C2N)N

InChI

InChI=1S/C12H14N4O3/c1-19-9-4-6(3-8(17)10(9)18)2-7-5-15-12(14)16-11(7)13/h3-5,17-18H,2H2,1H3,(H4,13,14,15,16)