N4-(4-chlorophenyl)-2-[(3S)-3-methylpiperidin-1-yl]-5-nitro-pyrimidine-4,6-diamine

Systemtic Name: N4-(4-chlorophenyl)-2-[(3S)-3-methylpiperidin-1-yl]-5-nitro-pyrimidine-4,6-diamine Openeye Name: N4-(4-chlorophenyl)-2-[(3S)-3-methyl-1-piperidyl]-5-nitro-pyrimidine-4,6-diamine CAS Name: N4-(4-chlorophenyl)-2-[(3S)-3-methyl-1-piperidinyl]-5-nitropyrimidine-4,6-diamine IUPAC Name: 4-N-(4-chlorophenyl)-2-[(3S)-3-methylpiperidin-1-yl]-5-nitropyrimidine-4,6-diamine Traditional Name: [6-amino-2-[(3S)-3-methylpiperidino]-5-nitro-pyrimidin-4-yl]-(4-chlorophenyl)amine Formula: C16H19ClN6O2 MolecularWeight: 362.81406

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCCN(C1)C2=NC(=C(C(=N2)NC3=CC=C(C=C3)Cl)[N+](=O)[O-])N

Isomeric SMILES

C[C@H]1CCCN(C1)C2=NC(=C(C(=N2)NC3=CC=C(C=C3)Cl)[N+](=O)[O-])N

InChI

InChI=1S/C16H19ClN6O2/c1-10-3-2-8-22(9-10)16-20-14(18)13(23(24)25)15(21-16)19-12-6-4-11(17)5-7-12/h4-7,10H,2-3,8-9H2,1H3,(H3,18,19,20,21)/t10-/m0/s1