N-[(1R,2R)-2-methoxycyclohexyl]-4-methyl-6-(2-methylimidazol-1-yl)-5-nitro-pyrimidin-2-amine

Systemtic Name: N-[(1R,2R)-2-methoxycyclohexyl]-4-methyl-6-(2-methylimidazol-1-yl)-5-nitro-pyrimidin-2-amine Openeye Name: N-[(1R,2R)-2-methoxycyclohexyl]-4-methyl-6-(2-methylimidazol-1-yl)-5-nitro-pyrimidin-2-amine CAS Name: N-[(1R,2R)-2-methoxycyclohexyl]-4-methyl-6-(2-methyl-1-imidazolyl)-5-nitro-2-pyrimidinamine IUPAC Name: N-[(1R,2R)-2-methoxycyclohexyl]-4-methyl-6-(2-methylimidazol-1-yl)-5-nitropyrimidin-2-amine Traditional Name: [(1R,2R)-2-methoxycyclohexyl]-[4-methyl-6-(2-methylimidazol-1-yl)-5-nitro-pyrimidin-2-yl]amine Formula: C16H22N6O3 MolecularWeight: 346.38428

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NC(=N1)NC2CCCCC2OC)N3C=CN=C3C)[N+](=O)[O-]

Isomeric SMILES

CC1=C(C(=NC(=N1)N[C@@H]2CCCC[C@H]2OC)N3C=CN=C3C)[N+](=O)[O-]

InChI

InChI=1S/C16H22N6O3/c1-10-14(22(23)24)15(21-9-8-17-11(21)2)20-16(18-10)19-12-6-4-5-7-13(12)25-3/h8-9,12-13H,4-7H2,1-3H3,(H,18,19,20)/t12-,13-/m1/s1