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

Systemtic Name: N4-(1,3-benzodioxol-5-ylmethyl)-6-chloranyl-pyrimidine-4,5-diamine Openeye Name: N4-(1,3-benzodioxol-5-ylmethyl)-6-chloro-pyrimidine-4,5-diamine CAS Name: N4-(1,3-benzodioxol-5-ylmethyl)-6-chloropyrimidine-4,5-diamine IUPAC Name: 4-N-(1,3-benzodioxol-5-ylmethyl)-6-chloropyrimidine-4,5-diamine Traditional Name: (5-amino-6-chloro-pyrimidin-4-yl)-piperonyl-amine Formula: C12H11ClN4O2 MolecularWeight: 278.69434

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Descriptors Computed from Structure

Canonical SMILES:

C1OC2=C(O1)C=C(C=C2)CNC3=C(C(=NC=N3)Cl)N

Isomeric SMILES

C1OC2=C(O1)C=C(C=C2)CNC3=C(C(=NC=N3)Cl)N

InChI

InChI=1S/C12H11ClN4O2/c13-11-10(14)12(17-5-16-11)15-4-7-1-2-8-9(3-7)19-6-18-8/h1-3,5H,4,6,14H2,(H,15,16,17)