2-methylpropoxycarbonyl 4-[[[4-[2,4-bis(azanyl)-6-ethyl-pyrimidin-5-yl]-2-nitro-phenyl]amino]methyl]benzoate

Systemtic Name: 2-methylpropoxycarbonyl 4-[[[4-[2,4-bis(azanyl)-6-ethyl-pyrimidin-5-yl]-2-nitro-phenyl]amino]methyl]benzoate Openeye Name: isobutoxycarbonyl 4-[[4-(2,4-diamino-6-ethyl-pyrimidin-5-yl)-2-nitro-anilino]methyl]benzoate CAS Name: 4-[[4-(2,4-diamino-6-ethyl-5-pyrimidinyl)-2-nitroanilino]methyl]benzoic acid [2-methylpropoxy(oxo)methyl] ester IUPAC Name: 2-methylpropoxycarbonyl 4-[[4-(2,4-diamino-6-ethylpyrimidin-5-yl)-2-nitroanilino]methyl]benzoate Traditional Name: 4-[[4-(2,4-diamino-6-ethyl-pyrimidin-5-yl)-2-nitro-anilino]methyl]benzoic acid isobutoxycarbonyl ester Formula: C25H28N6O6 MolecularWeight: 508.52642

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(C(=NC(=N1)N)N)C2=CC(=C(C=C2)NCC3=CC=C(C=C3)C(=O)OC(=O)OCC(C)C)[N+](=O)[O-]

Isomeric SMILES

CCC1=C(C(=NC(=N1)N)N)C2=CC(=C(C=C2)NCC3=CC=C(C=C3)C(=O)OC(=O)OCC(C)C)[N+](=O)[O-]

InChI

InChI=1S/C25H28N6O6/c1-4-18-21(22(26)30-24(27)29-18)17-9-10-19(20(11-17)31(34)35)28-12-15-5-7-16(8-6-15)23(32)37-25(33)36-13-14(2)3/h5-11,14,28H,4,12-13H2,1-3H3,(H4,26,27,29,30)