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

Systemtic Name: 2-[(3S)-3-methylpiperidin-1-yl]-5-nitro-N4-phenyl-pyrimidine-4,6-diamine Openeye Name: 2-[(3S)-3-methyl-1-piperidyl]-5-nitro-N4-phenyl-pyrimidine-4,6-diamine CAS Name: 2-[(3S)-3-methyl-1-piperidinyl]-5-nitro-N4-phenylpyrimidine-4,6-diamine IUPAC Name: 2-[(3S)-3-methylpiperidin-1-yl]-5-nitro-4-N-phenylpyrimidine-4,6-diamine Traditional Name: [6-amino-2-[(3S)-3-methylpiperidino]-5-nitro-pyrimidin-4-yl]-phenyl-amine Formula: C16H20N6O2 MolecularWeight: 328.369

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H20N6O2/c1-11-6-5-9-21(10-11)16-19-14(17)13(22(23)24)15(20-16)18-12-7-3-2-4-8-12/h2-4,7-8,11H,5-6,9-10H2,1H3,(H3,17,18,19,20)/t11-/m0/s1