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

Systemtic Name: methyl 2-[methyl-[6-[methyl-(phenylmethyl)amino]-5-nitro-pyrimidin-4-yl]amino]benzoate Openeye Name: methyl 2-[[6-[benzyl(methyl)amino]-5-nitro-pyrimidin-4-yl]-methyl-amino]benzoate CAS Name: 2-[methyl-[6-[methyl-(phenylmethyl)amino]-5-nitro-4-pyrimidinyl]amino]benzoic acid methyl ester IUPAC Name: methyl 2-[[6-[benzyl(methyl)amino]-5-nitropyrimidin-4-yl]-methylamino]benzoate Traditional Name: 2-[[6-[benzyl(methyl)amino]-5-nitro-pyrimidin-4-yl]-methyl-amino]benzoic acid methyl ester Formula: C21H21N5O4 MolecularWeight: 407.42254

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Descriptors Computed from Structure

Canonical SMILES:

CN(CC1=CC=CC=C1)C2=NC=NC(=C2[N+](=O)[O-])N(C)C3=CC=CC=C3C(=O)OC

Isomeric SMILES

CN(CC1=CC=CC=C1)C2=NC=NC(=C2[N+](=O)[O-])N(C)C3=CC=CC=C3C(=O)OC

InChI

InChI=1S/C21H21N5O4/c1-24(13-15-9-5-4-6-10-15)19-18(26(28)29)20(23-14-22-19)25(2)17-12-8-7-11-16(17)21(27)30-3/h4-12,14H,13H2,1-3H3