methyl 2-[[6-[2-(cyclohexen-1-yl)ethylamino]-5-nitro-pyrimidin-4-yl]-methyl-amino]benzoate

Systemtic Name: methyl 2-[[6-[2-(cyclohexen-1-yl)ethylamino]-5-nitro-pyrimidin-4-yl]-methyl-amino]benzoate Openeye Name: methyl 2-[[6-[2-(cyclohexen-1-yl)ethylamino]-5-nitro-pyrimidin-4-yl]-methyl-amino]benzoate CAS Name: 2-[[6-[2-(1-cyclohexenyl)ethylamino]-5-nitro-4-pyrimidinyl]-methylamino]benzoic acid methyl ester IUPAC Name: methyl 2-[[6-[2-(cyclohexen-1-yl)ethylamino]-5-nitropyrimidin-4-yl]-methylamino]benzoate Traditional Name: 2-[[6-[2-(cyclohexen-1-yl)ethylamino]-5-nitro-pyrimidin-4-yl]-methyl-amino]benzoic acid methyl ester Formula: C21H25N5O4 MolecularWeight: 411.4543

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Descriptors Computed from Structure

Canonical SMILES:

CN(C1=CC=CC=C1C(=O)OC)C2=NC=NC(=C2[N+](=O)[O-])NCCC3=CCCCC3

Isomeric SMILES

CN(C1=CC=CC=C1C(=O)OC)C2=NC=NC(=C2[N+](=O)[O-])NCCC3=CCCCC3

InChI

InChI=1S/C21H25N5O4/c1-25(17-11-7-6-10-16(17)21(27)30-2)20-18(26(28)29)19(23-14-24-20)22-13-12-15-8-4-3-5-9-15/h6-8,10-11,14H,3-5,9,12-13H2,1-2H3,(H,22,23,24)