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

Systemtic Name: N2-[(4-chlorophenyl)methyl]-6-(4-methylpiperidin-1-yl)-5-nitro-pyrimidine-2,4-diamine Openeye Name: N2-[(4-chlorophenyl)methyl]-6-(4-methyl-1-piperidyl)-5-nitro-pyrimidine-2,4-diamine CAS Name: N2-[(4-chlorophenyl)methyl]-6-(4-methyl-1-piperidinyl)-5-nitropyrimidine-2,4-diamine IUPAC Name: 2-N-[(4-chlorophenyl)methyl]-6-(4-methylpiperidin-1-yl)-5-nitropyrimidine-2,4-diamine Traditional Name: [4-amino-6-(4-methylpiperidino)-5-nitro-pyrimidin-2-yl]-(4-chlorobenzyl)amine Formula: C17H21ClN6O2 MolecularWeight: 376.84064

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCN(CC1)C2=C(C(=NC(=N2)NCC3=CC=C(C=C3)Cl)N)[N+](=O)[O-]

Isomeric SMILES

CC1CCN(CC1)C2=C(C(=NC(=N2)NCC3=CC=C(C=C3)Cl)N)[N+](=O)[O-]

InChI

InChI=1S/C17H21ClN6O2/c1-11-6-8-23(9-7-11)16-14(24(25)26)15(19)21-17(22-16)20-10-12-2-4-13(18)5-3-12/h2-5,11H,6-10H2,1H3,(H3,19,20,21,22)