N-[(4-chlorophenyl)methyl]-6-(3-methylpiperidin-1-yl)-5-nitro-pyrimidin-4-amine

Systemtic Name: N-[(4-chlorophenyl)methyl]-6-(3-methylpiperidin-1-yl)-5-nitro-pyrimidin-4-amine Openeye Name: N-[(4-chlorophenyl)methyl]-6-(3-methyl-1-piperidyl)-5-nitro-pyrimidin-4-amine CAS Name: N-[(4-chlorophenyl)methyl]-6-(3-methyl-1-piperidinyl)-5-nitro-4-pyrimidinamine IUPAC Name: N-[(4-chlorophenyl)methyl]-6-(3-methylpiperidin-1-yl)-5-nitropyrimidin-4-amine Traditional Name: (4-chlorobenzyl)-[6-(3-methylpiperidino)-5-nitro-pyrimidin-4-yl]amine Formula: C17H20ClN5O2 MolecularWeight: 361.826

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCCN(C1)C2=C(C(=NC=N2)NCC3=CC=C(C=C3)Cl)[N+](=O)[O-]

Isomeric SMILES

CC1CCCN(C1)C2=C(C(=NC=N2)NCC3=CC=C(C=C3)Cl)[N+](=O)[O-]

InChI

InChI=1S/C17H20ClN5O2/c1-12-3-2-8-22(10-12)17-15(23(24)25)16(20-11-21-17)19-9-13-4-6-14(18)7-5-13/h4-7,11-12H,2-3,8-10H2,1H3,(H,19,20,21)