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

Systemtic Name: 5-[[2-(4-chlorophenyl)-1,3-benzodioxol-5-yl]methyl]pyrimidine-2,4-diamine Openeye Name: 5-[[2-(4-chlorophenyl)-1,3-benzodioxol-5-yl]methyl]pyrimidine-2,4-diamine CAS Name: 5-[[2-(4-chlorophenyl)-1,3-benzodioxol-5-yl]methyl]pyrimidine-2,4-diamine IUPAC Name: 5-[[2-(4-chlorophenyl)-1,3-benzodioxol-5-yl]methyl]pyrimidine-2,4-diamine Traditional Name: [2-amino-5-[[2-(4-chlorophenyl)-1,3-benzodioxol-5-yl]methyl]pyrimidin-4-yl]amine Formula: C18H15ClN4O2 MolecularWeight: 354.7903

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1C2OC3=C(O2)C=C(C=C3)CC4=CN=C(N=C4N)N)Cl

Isomeric SMILES

C1=CC(=CC=C1C2OC3=C(O2)C=C(C=C3)CC4=CN=C(N=C4N)N)Cl

InChI

InChI=1S/C18H15ClN4O2/c19-13-4-2-11(3-5-13)17-24-14-6-1-10(8-15(14)25-17)7-12-9-22-18(21)23-16(12)20/h1-6,8-9,17H,7H2,(H4,20,21,22,23)