N4-(1,3-benzodioxol-5-ylmethyl)-6-(4-ethylphenoxy)pyrimidine-4,5-diamine

Systemtic Name: N4-(1,3-benzodioxol-5-ylmethyl)-6-(4-ethylphenoxy)pyrimidine-4,5-diamine Openeye Name: N4-(1,3-benzodioxol-5-ylmethyl)-6-(4-ethylphenoxy)pyrimidine-4,5-diamine CAS Name: N4-(1,3-benzodioxol-5-ylmethyl)-6-(4-ethylphenoxy)pyrimidine-4,5-diamine IUPAC Name: 4-N-(1,3-benzodioxol-5-ylmethyl)-6-(4-ethylphenoxy)pyrimidine-4,5-diamine Traditional Name: [5-amino-6-(4-ethylphenoxy)pyrimidin-4-yl]-piperonyl-amine Formula: C20H20N4O3 MolecularWeight: 364.3978

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=C(C=C1)OC2=NC=NC(=C2N)NCC3=CC4=C(C=C3)OCO4

Isomeric SMILES

CCC1=CC=C(C=C1)OC2=NC=NC(=C2N)NCC3=CC4=C(C=C3)OCO4

InChI

InChI=1S/C20H20N4O3/c1-2-13-3-6-15(7-4-13)27-20-18(21)19(23-11-24-20)22-10-14-5-8-16-17(9-14)26-12-25-16/h3-9,11H,2,10,12,21H2,1H3,(H,22,23,24)