cyclohexyl-[[(4S)-5-ethoxycarbonyl-4-(3-nitrophenyl)-2-oxidanylidene-3,4-dihydro-1H-pyrimidin-6-yl]methyl]azanium

Systemtic Name: cyclohexyl-[[(4S)-5-ethoxycarbonyl-4-(3-nitrophenyl)-2-oxidanylidene-3,4-dihydro-1H-pyrimidin-6-yl]methyl]azanium Openeye Name: cyclohexyl-[[(4S)-5-ethoxycarbonyl-4-(3-nitrophenyl)-2-oxo-3,4-dihydro-1H-pyrimidin-6-yl]methyl]ammonium CAS Name: cyclohexyl-[[(4S)-5-ethoxycarbonyl-4-(3-nitrophenyl)-2-oxo-3,4-dihydro-1H-pyrimidin-6-yl]methyl]ammonium IUPAC Name: cyclohexyl-[[(4S)-5-ethoxycarbonyl-4-(3-nitrophenyl)-2-oxo-3,4-dihydro-1H-pyrimidin-6-yl]methyl]azanium Traditional Name: [(4S)-5-carbethoxy-2-keto-4-(3-nitrophenyl)-3,4-dihydro-1H-pyrimidin-6-yl]methyl-cyclohexyl-ammonium Formula: C20H27N4O5+ MolecularWeight: 403.45218

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(NC(=O)NC1C2=CC(=CC=C2)[N+](=O)[O-])C[NH2+]C3CCCCC3

Isomeric SMILES

CCOC(=O)C1=C(NC(=O)N[C@H]1C2=CC(=CC=C2)[N+](=O)[O-])C[NH2+]C3CCCCC3

InChI

InChI=1S/C20H26N4O5/c1-2-29-19(25)17-16(12-21-14-8-4-3-5-9-14)22-20(26)23-18(17)13-7-6-10-15(11-13)24(27)28/h6-7,10-11,14,18,21H,2-5,8-9,12H2,1H3,(H2,22,23,26)/p+1/t18-/m0/s1