5-[(2-methoxy-1,3-benzodioxol-5-yl)methyl]pyrimidine-2,4-diamine

Systemtic Name: 5-[(2-methoxy-1,3-benzodioxol-5-yl)methyl]pyrimidine-2,4-diamine Openeye Name: 5-[(2-methoxy-1,3-benzodioxol-5-yl)methyl]pyrimidine-2,4-diamine CAS Name: 5-[(2-methoxy-1,3-benzodioxol-5-yl)methyl]pyrimidine-2,4-diamine IUPAC Name: 5-[(2-methoxy-1,3-benzodioxol-5-yl)methyl]pyrimidine-2,4-diamine Traditional Name: [2-amino-5-[(2-methoxy-1,3-benzodioxol-5-yl)methyl]pyrimidin-4-yl]amine Formula: C13H14N4O3 MolecularWeight: 274.27526

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Descriptors Computed from Structure

Canonical SMILES:

COC1OC2=C(O1)C=C(C=C2)CC3=CN=C(N=C3N)N

Isomeric SMILES

COC1OC2=C(O1)C=C(C=C2)CC3=CN=C(N=C3N)N

InChI

InChI=1S/C13H14N4O3/c1-18-13-19-9-3-2-7(5-10(9)20-13)4-8-6-16-12(15)17-11(8)14/h2-3,5-6,13H,4H2,1H3,(H4,14,15,16,17)