methyl 2-[[6-[(4-methoxyphenyl)methylamino]-5-nitro-pyrimidin-4-yl]-methyl-amino]benzoate

Systemtic Name: methyl 2-[[6-[(4-methoxyphenyl)methylamino]-5-nitro-pyrimidin-4-yl]-methyl-amino]benzoate Openeye Name: methyl 2-[[6-[(4-methoxyphenyl)methylamino]-5-nitro-pyrimidin-4-yl]-methyl-amino]benzoate CAS Name: 2-[[6-[(4-methoxyphenyl)methylamino]-5-nitro-4-pyrimidinyl]-methylamino]benzoic acid methyl ester IUPAC Name: methyl 2-[[6-[(4-methoxyphenyl)methylamino]-5-nitropyrimidin-4-yl]-methylamino]benzoate Traditional Name: 2-[methyl-[5-nitro-6-(p-anisylamino)pyrimidin-4-yl]amino]benzoic acid methyl ester Formula: C21H21N5O5 MolecularWeight: 423.42194

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Descriptors Computed from Structure

Canonical SMILES:

CN(C1=CC=CC=C1C(=O)OC)C2=NC=NC(=C2[N+](=O)[O-])NCC3=CC=C(C=C3)OC

Isomeric SMILES

CN(C1=CC=CC=C1C(=O)OC)C2=NC=NC(=C2[N+](=O)[O-])NCC3=CC=C(C=C3)OC

InChI

InChI=1S/C21H21N5O5/c1-25(17-7-5-4-6-16(17)21(27)31-3)20-18(26(28)29)19(23-13-24-20)22-12-14-8-10-15(30-2)11-9-14/h4-11,13H,12H2,1-3H3,(H,22,23,24)