2-methylpropyl 4-[[5-nitro-6-(quinolin-8-ylamino)pyrimidin-4-yl]amino]benzoate

Systemtic Name: 2-methylpropyl 4-[[5-nitro-6-(quinolin-8-ylamino)pyrimidin-4-yl]amino]benzoate Openeye Name: isobutyl 4-[[5-nitro-6-(8-quinolylamino)pyrimidin-4-yl]amino]benzoate CAS Name: 4-[[5-nitro-6-(8-quinolinylamino)-4-pyrimidinyl]amino]benzoic acid 2-methylpropyl ester IUPAC Name: 2-methylpropyl 4-[[5-nitro-6-(quinolin-8-ylamino)pyrimidin-4-yl]amino]benzoate Traditional Name: 4-[[5-nitro-6-(8-quinolylamino)pyrimidin-4-yl]amino]benzoic acid isobutyl ester Formula: C24H22N6O4 MolecularWeight: 458.46928

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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=C3N=CC=C4)[N+](=O)[O-]

Isomeric SMILES

CC(C)COC(=O)C1=CC=C(C=C1)NC2=C(C(=NC=N2)NC3=CC=CC4=C3N=CC=C4)[N+](=O)[O-]

InChI

InChI=1S/C24H22N6O4/c1-15(2)13-34-24(31)17-8-10-18(11-9-17)28-22-21(30(32)33)23(27-14-26-22)29-19-7-3-5-16-6-4-12-25-20(16)19/h3-12,14-15H,13H2,1-2H3,(H2,26,27,28,29)