N2-[(4-chlorophenyl)methyl]-5-nitro-6-piperidin-1-yl-pyrimidine-2,4-diamine

Systemtic Name: N2-[(4-chlorophenyl)methyl]-5-nitro-6-piperidin-1-yl-pyrimidine-2,4-diamine Openeye Name: N2-[(4-chlorophenyl)methyl]-5-nitro-6-(1-piperidyl)pyrimidine-2,4-diamine CAS Name: N2-[(4-chlorophenyl)methyl]-5-nitro-6-(1-piperidinyl)pyrimidine-2,4-diamine IUPAC Name: 2-N-[(4-chlorophenyl)methyl]-5-nitro-6-piperidin-1-ylpyrimidine-2,4-diamine Traditional Name: (4-amino-5-nitro-6-piperidino-pyrimidin-2-yl)-(4-chlorobenzyl)amine Formula: C16H19ClN6O2 MolecularWeight: 362.81406

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(CC1)C2=C(C(=NC(=N2)NCC3=CC=C(C=C3)Cl)N)[N+](=O)[O-]

Isomeric SMILES

C1CCN(CC1)C2=C(C(=NC(=N2)NCC3=CC=C(C=C3)Cl)N)[N+](=O)[O-]

InChI

InChI=1S/C16H19ClN6O2/c17-12-6-4-11(5-7-12)10-19-16-20-14(18)13(23(24)25)15(21-16)22-8-2-1-3-9-22/h4-7H,1-3,8-10H2,(H3,18,19,20,21)