N4-methyl-N4-(1-methylpiperidin-4-yl)-5-nitro-N6-pyridin-3-yl-pyrimidine-4,6-diamine

Systemtic Name: N4-methyl-N4-(1-methylpiperidin-4-yl)-5-nitro-N6-pyridin-3-yl-pyrimidine-4,6-diamine Openeye Name: N4-methyl-N4-(1-methyl-4-piperidyl)-5-nitro-N6-(3-pyridyl)pyrimidine-4,6-diamine CAS Name: N4-methyl-N4-(1-methyl-4-piperidinyl)-5-nitro-N6-(3-pyridinyl)pyrimidine-4,6-diamine IUPAC Name: 4-N-methyl-4-N-(1-methylpiperidin-4-yl)-5-nitro-6-N-pyridin-3-ylpyrimidine-4,6-diamine Traditional Name: methyl-(1-methyl-4-piperidyl)-[5-nitro-6-(3-pyridylamino)pyrimidin-4-yl]amine Formula: C16H21N7O2 MolecularWeight: 343.38364

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Descriptors Computed from Structure

Canonical SMILES:

CN1CCC(CC1)N(C)C2=NC=NC(=C2[N+](=O)[O-])NC3=CN=CC=C3

Isomeric SMILES

CN1CCC(CC1)N(C)C2=NC=NC(=C2[N+](=O)[O-])NC3=CN=CC=C3

InChI

InChI=1S/C16H21N7O2/c1-21-8-5-13(6-9-21)22(2)16-14(23(24)25)15(18-11-19-16)20-12-4-3-7-17-10-12/h3-4,7,10-11,13H,5-6,8-9H2,1-2H3,(H,18,19,20)