N-[(2-chlorophenyl)methyl]-6-(2-methylpiperidin-1-yl)-5-nitro-pyrimidin-4-amine

Systemtic Name: N-[(2-chlorophenyl)methyl]-6-(2-methylpiperidin-1-yl)-5-nitro-pyrimidin-4-amine Openeye Name: N-[(2-chlorophenyl)methyl]-6-(2-methyl-1-piperidyl)-5-nitro-pyrimidin-4-amine CAS Name: N-[(2-chlorophenyl)methyl]-6-(2-methyl-1-piperidinyl)-5-nitro-4-pyrimidinamine IUPAC Name: N-[(2-chlorophenyl)methyl]-6-(2-methylpiperidin-1-yl)-5-nitropyrimidin-4-amine Traditional Name: (2-chlorobenzyl)-[6-(2-methylpiperidino)-5-nitro-pyrimidin-4-yl]amine Formula: C17H20ClN5O2 MolecularWeight: 361.826

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCCCN1C2=C(C(=NC=N2)NCC3=CC=CC=C3Cl)[N+](=O)[O-]

Isomeric SMILES

CC1CCCCN1C2=C(C(=NC=N2)NCC3=CC=CC=C3Cl)[N+](=O)[O-]

InChI

InChI=1S/C17H20ClN5O2/c1-12-6-4-5-9-22(12)17-15(23(24)25)16(20-11-21-17)19-10-13-7-2-3-8-14(13)18/h2-3,7-8,11-12H,4-6,9-10H2,1H3,(H,19,20,21)