N-[(1S,6R)-6-ethylcyclohex-3-en-1-yl]-4-methyl-6-(2-methylimidazol-1-yl)-5-nitro-pyrimidin-2-amine

Systemtic Name: N-[(1S,6R)-6-ethylcyclohex-3-en-1-yl]-4-methyl-6-(2-methylimidazol-1-yl)-5-nitro-pyrimidin-2-amine Openeye Name: N-[(1S,6R)-6-ethylcyclohex-3-en-1-yl]-4-methyl-6-(2-methylimidazol-1-yl)-5-nitro-pyrimidin-2-amine CAS Name: N-[(1S,6R)-6-ethyl-1-cyclohex-3-enyl]-4-methyl-6-(2-methyl-1-imidazolyl)-5-nitro-2-pyrimidinamine IUPAC Name: N-[(1S,6R)-6-ethylcyclohex-3-en-1-yl]-4-methyl-6-(2-methylimidazol-1-yl)-5-nitropyrimidin-2-amine Traditional Name: [(1S,6R)-6-ethylcyclohex-3-en-1-yl]-[4-methyl-6-(2-methylimidazol-1-yl)-5-nitro-pyrimidin-2-yl]amine Formula: C17H22N6O2 MolecularWeight: 342.39558

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Descriptors Computed from Structure

Canonical SMILES:

CCC1CC=CCC1NC2=NC(=C(C(=N2)N3C=CN=C3C)[N+](=O)[O-])C

Isomeric SMILES

CC[C@@H]1CC=CC[C@@H]1NC2=NC(=C(C(=N2)N3C=CN=C3C)[N+](=O)[O-])C

InChI

InChI=1S/C17H22N6O2/c1-4-13-7-5-6-8-14(13)20-17-19-11(2)15(23(24)25)16(21-17)22-10-9-18-12(22)3/h5-6,9-10,13-14H,4,7-8H2,1-3H3,(H,19,20,21)/t13-,14+/m1/s1