N4-(1,3-benzodioxol-5-ylmethyl)-6-(4-chloranyl-3,5-dimethyl-phenoxy)pyrimidine-4,5-diamine

Systemtic Name: N4-(1,3-benzodioxol-5-ylmethyl)-6-(4-chloranyl-3,5-dimethyl-phenoxy)pyrimidine-4,5-diamine Openeye Name: N4-(1,3-benzodioxol-5-ylmethyl)-6-(4-chloro-3,5-dimethyl-phenoxy)pyrimidine-4,5-diamine CAS Name: N4-(1,3-benzodioxol-5-ylmethyl)-6-(4-chloro-3,5-dimethylphenoxy)pyrimidine-4,5-diamine IUPAC Name: 4-N-(1,3-benzodioxol-5-ylmethyl)-6-(4-chloro-3,5-dimethylphenoxy)pyrimidine-4,5-diamine Traditional Name: [5-amino-6-(4-chloro-3,5-dimethyl-phenoxy)pyrimidin-4-yl]-piperonyl-amine Formula: C20H19ClN4O3 MolecularWeight: 398.84286

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1Cl)C)OC2=NC=NC(=C2N)NCC3=CC4=C(C=C3)OCO4

Isomeric SMILES

CC1=CC(=CC(=C1Cl)C)OC2=NC=NC(=C2N)NCC3=CC4=C(C=C3)OCO4

InChI

InChI=1S/C20H19ClN4O3/c1-11-5-14(6-12(2)17(11)21)28-20-18(22)19(24-9-25-20)23-8-13-3-4-15-16(7-13)27-10-26-15/h3-7,9H,8,10,22H2,1-2H3,(H,23,24,25)