5-[(7-methoxy-1,3-benzodioxol-5-yl)methyl]pyrimidine-2,4-diamine

Systemtic Name: 5-[(7-methoxy-1,3-benzodioxol-5-yl)methyl]pyrimidine-2,4-diamine Openeye Name: 5-[(7-methoxy-1,3-benzodioxol-5-yl)methyl]pyrimidine-2,4-diamine CAS Name: 5-[(7-methoxy-1,3-benzodioxol-5-yl)methyl]pyrimidine-2,4-diamine IUPAC Name: 5-[(7-methoxy-1,3-benzodioxol-5-yl)methyl]pyrimidine-2,4-diamine Traditional Name: [2-amino-5-[(7-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:

COC1=CC(=CC2=C1OCO2)CC3=CN=C(N=C3N)N

Isomeric SMILES

COC1=CC(=CC2=C1OCO2)CC3=CN=C(N=C3N)N

InChI

InChI=1S/C13H14N4O3/c1-18-9-3-7(4-10-11(9)20-6-19-10)2-8-5-16-13(15)17-12(8)14/h3-5H,2,6H2,1H3,(H4,14,15,16,17)