N6-(1,3-benzodioxol-5-ylmethyl)-N4-[(2-chlorophenyl)methyl]pyrimidine-4,5,6-triamine

Systemtic Name: N6-(1,3-benzodioxol-5-ylmethyl)-N4-[(2-chlorophenyl)methyl]pyrimidine-4,5,6-triamine Openeye Name: N6-(1,3-benzodioxol-5-ylmethyl)-N4-[(2-chlorophenyl)methyl]pyrimidine-4,5,6-triamine CAS Name: N6-(1,3-benzodioxol-5-ylmethyl)-N4-[(2-chlorophenyl)methyl]pyrimidine-4,5,6-triamine IUPAC Name: 6-N-(1,3-benzodioxol-5-ylmethyl)-4-N-[(2-chlorophenyl)methyl]pyrimidine-4,5,6-triamine Traditional Name: [5-amino-6-[(2-chlorobenzyl)amino]pyrimidin-4-yl]-piperonyl-amine Formula: C19H18ClN5O2 MolecularWeight: 383.83152

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Descriptors Computed from Structure

Canonical SMILES:

C1OC2=C(O1)C=C(C=C2)CNC3=C(C(=NC=N3)NCC4=CC=CC=C4Cl)N

Isomeric SMILES

C1OC2=C(O1)C=C(C=C2)CNC3=C(C(=NC=N3)NCC4=CC=CC=C4Cl)N

InChI

InChI=1S/C19H18ClN5O2/c20-14-4-2-1-3-13(14)9-23-19-17(21)18(24-10-25-19)22-8-12-5-6-15-16(7-12)27-11-26-15/h1-7,10H,8-9,11,21H2,(H2,22,23,24,25)