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

Systemtic Name: N6-(1,3-benzodioxol-5-ylmethyl)-N4-[(2-chlorophenyl)methyl]-5-nitro-pyrimidine-4,6-diamine Openeye Name: N6-(1,3-benzodioxol-5-ylmethyl)-N4-[(2-chlorophenyl)methyl]-5-nitro-pyrimidine-4,6-diamine CAS Name: N6-(1,3-benzodioxol-5-ylmethyl)-N4-[(2-chlorophenyl)methyl]-5-nitropyrimidine-4,6-diamine IUPAC Name: 6-N-(1,3-benzodioxol-5-ylmethyl)-4-N-[(2-chlorophenyl)methyl]-5-nitropyrimidine-4,6-diamine Traditional Name: (2-chlorobenzyl)-[5-nitro-6-(piperonylamino)pyrimidin-4-yl]amine Formula: C19H16ClN5O4 MolecularWeight: 413.81444

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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+](=O)[O-]

Isomeric SMILES

C1OC2=C(O1)C=C(C=C2)CNC3=C(C(=NC=N3)NCC4=CC=CC=C4Cl)[N+](=O)[O-]

InChI

InChI=1S/C19H16ClN5O4/c20-14-4-2-1-3-13(14)9-22-19-17(25(26)27)18(23-10-24-19)21-8-12-5-6-15-16(7-12)29-11-28-15/h1-7,10H,8-9,11H2,(H2,21,22,23,24)