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

Systemtic Name: ethyl 3-[[5-nitro-6-[(phenylmethyl)amino]pyrimidin-4-yl]amino]benzoate Openeye Name: ethyl 3-[[6-(benzylamino)-5-nitro-pyrimidin-4-yl]amino]benzoate CAS Name: 3-[[5-nitro-6-[(phenylmethyl)amino]-4-pyrimidinyl]amino]benzoic acid ethyl ester IUPAC Name: ethyl 3-[[6-(benzylamino)-5-nitropyrimidin-4-yl]amino]benzoate Traditional Name: 3-[[6-(benzylamino)-5-nitro-pyrimidin-4-yl]amino]benzoic acid ethyl ester Formula: C20H19N5O4 MolecularWeight: 393.39596

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC(=CC=C1)NC2=C(C(=NC=N2)NCC3=CC=CC=C3)[N+](=O)[O-]

Isomeric SMILES

CCOC(=O)C1=CC(=CC=C1)NC2=C(C(=NC=N2)NCC3=CC=CC=C3)[N+](=O)[O-]

InChI

InChI=1S/C20H19N5O4/c1-2-29-20(26)15-9-6-10-16(11-15)24-19-17(25(27)28)18(22-13-23-19)21-12-14-7-4-3-5-8-14/h3-11,13H,2,12H2,1H3,(H2,21,22,23,24)