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

Systemtic Name: 2-methylpropyl 4-[[5-nitro-6-(propan-2-ylamino)pyrimidin-4-yl]amino]benzoate Openeye Name: isobutyl 4-[[6-(isopropylamino)-5-nitro-pyrimidin-4-yl]amino]benzoate CAS Name: 4-[[5-nitro-6-(propan-2-ylamino)-4-pyrimidinyl]amino]benzoic acid 2-methylpropyl ester IUPAC Name: 2-methylpropyl 4-[[5-nitro-6-(propan-2-ylamino)pyrimidin-4-yl]amino]benzoate Traditional Name: 4-[[6-(isopropylamino)-5-nitro-pyrimidin-4-yl]amino]benzoic acid isobutyl ester Formula: C18H23N5O4 MolecularWeight: 373.40632

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H23N5O4/c1-11(2)9-27-18(24)13-5-7-14(8-6-13)22-17-15(23(25)26)16(19-10-20-17)21-12(3)4/h5-8,10-12H,9H2,1-4H3,(H2,19,20,21,22)