methyl 2-[[6-[(2-chloranylpyridin-3-yl)amino]-5-nitro-pyrimidin-4-yl]-methyl-amino]benzoate

Systemtic Name: methyl 2-[[6-[(2-chloranylpyridin-3-yl)amino]-5-nitro-pyrimidin-4-yl]-methyl-amino]benzoate Openeye Name: methyl 2-[[6-[(2-chloro-3-pyridyl)amino]-5-nitro-pyrimidin-4-yl]-methyl-amino]benzoate CAS Name: 2-[[6-[(2-chloro-3-pyridinyl)amino]-5-nitro-4-pyrimidinyl]-methylamino]benzoic acid methyl ester IUPAC Name: methyl 2-[[6-[(2-chloropyridin-3-yl)amino]-5-nitropyrimidin-4-yl]-methylamino]benzoate Traditional Name: 2-[[6-[(2-chloro-3-pyridyl)amino]-5-nitro-pyrimidin-4-yl]-methyl-amino]benzoic acid methyl ester Formula: C18H15ClN6O4 MolecularWeight: 414.8025

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Descriptors Computed from Structure

Canonical SMILES:

CN(C1=CC=CC=C1C(=O)OC)C2=NC=NC(=C2[N+](=O)[O-])NC3=C(N=CC=C3)Cl

Isomeric SMILES

CN(C1=CC=CC=C1C(=O)OC)C2=NC=NC(=C2[N+](=O)[O-])NC3=C(N=CC=C3)Cl

InChI

InChI=1S/C18H15ClN6O4/c1-24(13-8-4-3-6-11(13)18(26)29-2)17-14(25(27)28)16(21-10-22-17)23-12-7-5-9-20-15(12)19/h3-10H,1-2H3,(H,21,22,23)