ethyl 3-[[6-[methyl-(phenylmethyl)amino]-5-nitro-pyrimidin-4-yl]amino]benzoate

Systemtic Name: ethyl 3-[[6-[methyl-(phenylmethyl)amino]-5-nitro-pyrimidin-4-yl]amino]benzoate Openeye Name: ethyl 3-[[6-[benzyl(methyl)amino]-5-nitro-pyrimidin-4-yl]amino]benzoate CAS Name: 3-[[6-[methyl-(phenylmethyl)amino]-5-nitro-4-pyrimidinyl]amino]benzoic acid ethyl ester IUPAC Name: ethyl 3-[[6-[benzyl(methyl)amino]-5-nitropyrimidin-4-yl]amino]benzoate Traditional Name: 3-[[6-[benzyl(methyl)amino]-5-nitro-pyrimidin-4-yl]amino]benzoic acid ethyl ester Formula: C21H21N5O4 MolecularWeight: 407.42254

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC(=CC=C1)NC2=C(C(=NC=N2)N(C)CC3=CC=CC=C3)[N+](=O)[O-]

Isomeric SMILES

CCOC(=O)C1=CC(=CC=C1)NC2=C(C(=NC=N2)N(C)CC3=CC=CC=C3)[N+](=O)[O-]

InChI

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