2-methylpropyl 4-[[6-(naphthalen-1-ylamino)-5-nitro-pyrimidin-4-yl]amino]benzoate

Systemtic Name: 2-methylpropyl 4-[[6-(naphthalen-1-ylamino)-5-nitro-pyrimidin-4-yl]amino]benzoate Openeye Name: isobutyl 4-[[6-(1-naphthylamino)-5-nitro-pyrimidin-4-yl]amino]benzoate CAS Name: 4-[[6-(1-naphthalenylamino)-5-nitro-4-pyrimidinyl]amino]benzoic acid 2-methylpropyl ester IUPAC Name: 2-methylpropyl 4-[[6-(naphthalen-1-ylamino)-5-nitropyrimidin-4-yl]amino]benzoate Traditional Name: 4-[[6-(1-naphthylamino)-5-nitro-pyrimidin-4-yl]amino]benzoic acid isobutyl ester Formula: C25H23N5O4 MolecularWeight: 457.48122

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)COC(=O)C1=CC=C(C=C1)NC2=C(C(=NC=N2)NC3=CC=CC4=CC=CC=C43)[N+](=O)[O-]

Isomeric SMILES

CC(C)COC(=O)C1=CC=C(C=C1)NC2=C(C(=NC=N2)NC3=CC=CC4=CC=CC=C43)[N+](=O)[O-]

InChI

InChI=1S/C25H23N5O4/c1-16(2)14-34-25(31)18-10-12-19(13-11-18)28-23-22(30(32)33)24(27-15-26-23)29-21-9-5-7-17-6-3-4-8-20(17)21/h3-13,15-16H,14H2,1-2H3,(H2,26,27,28,29)