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

Systemtic Name: 5-[(2-ethyl-1,3-benzodioxol-5-yl)methyl]pyrimidine-2,4-diamine Openeye Name: 5-[(2-ethyl-1,3-benzodioxol-5-yl)methyl]pyrimidine-2,4-diamine CAS Name: 5-[(2-ethyl-1,3-benzodioxol-5-yl)methyl]pyrimidine-2,4-diamine IUPAC Name: 5-[(2-ethyl-1,3-benzodioxol-5-yl)methyl]pyrimidine-2,4-diamine Traditional Name: [2-amino-5-[(2-ethyl-1,3-benzodioxol-5-yl)methyl]pyrimidin-4-yl]amine Formula: C14H16N4O2 MolecularWeight: 272.30244

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Descriptors Computed from Structure

Canonical SMILES:

CCC1OC2=C(O1)C=C(C=C2)CC3=CN=C(N=C3N)N

Isomeric SMILES

CCC1OC2=C(O1)C=C(C=C2)CC3=CN=C(N=C3N)N

InChI

InChI=1S/C14H16N4O2/c1-2-12-19-10-4-3-8(6-11(10)20-12)5-9-7-17-14(16)18-13(9)15/h3-4,6-7,12H,2,5H2,1H3,(H4,15,16,17,18)