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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1)OC2=NC=NC(=C2N)NCC3=CC4=C(C=C3)OCO4)C

Isomeric SMILES

CC1=CC(=CC(=C1)OC2=NC=NC(=C2N)NCC3=CC4=C(C=C3)OCO4)C

InChI

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