N2-[(4-chlorophenyl)methyl]-6-[(3S)-3-methylpiperidin-1-yl]-5-nitro-pyrimidine-2,4-diamine

Systemtic Name: N2-[(4-chlorophenyl)methyl]-6-[(3S)-3-methylpiperidin-1-yl]-5-nitro-pyrimidine-2,4-diamine Openeye Name: N2-[(4-chlorophenyl)methyl]-6-[(3S)-3-methyl-1-piperidyl]-5-nitro-pyrimidine-2,4-diamine CAS Name: N2-[(4-chlorophenyl)methyl]-6-[(3S)-3-methyl-1-piperidinyl]-5-nitropyrimidine-2,4-diamine IUPAC Name: 2-N-[(4-chlorophenyl)methyl]-6-[(3S)-3-methylpiperidin-1-yl]-5-nitropyrimidine-2,4-diamine Traditional Name: [4-amino-6-[(3S)-3-methylpiperidino]-5-nitro-pyrimidin-2-yl]-(4-chlorobenzyl)amine Formula: C17H21ClN6O2 MolecularWeight: 376.84064

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

C[C@H]1CCCN(C1)C2=C(C(=NC(=N2)NCC3=CC=C(C=C3)Cl)N)[N+](=O)[O-]

InChI

InChI=1S/C17H21ClN6O2/c1-11-3-2-8-23(10-11)16-14(24(25)26)15(19)21-17(22-16)20-9-12-4-6-13(18)7-5-12/h4-7,11H,2-3,8-10H2,1H3,(H3,19,20,21,22)/t11-/m0/s1