2-methylpropyl 4-[[5-nitro-6-(1,3-thiazol-2-ylamino)pyrimidin-4-yl]amino]benzoate

Systemtic Name: 2-methylpropyl 4-[[5-nitro-6-(1,3-thiazol-2-ylamino)pyrimidin-4-yl]amino]benzoate Openeye Name: isobutyl 4-[[5-nitro-6-(thiazol-2-ylamino)pyrimidin-4-yl]amino]benzoate CAS Name: 4-[[5-nitro-6-(2-thiazolylamino)-4-pyrimidinyl]amino]benzoic acid 2-methylpropyl ester IUPAC Name: 2-methylpropyl 4-[[5-nitro-6-(1,3-thiazol-2-ylamino)pyrimidin-4-yl]amino]benzoate Traditional Name: 4-[[5-nitro-6-(thiazol-2-ylamino)pyrimidin-4-yl]amino]benzoic acid isobutyl ester Formula: C18H18N6O4S MolecularWeight: 414.43832

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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=NC=CS3)[N+](=O)[O-]

Isomeric SMILES

CC(C)COC(=O)C1=CC=C(C=C1)NC2=C(C(=NC=N2)NC3=NC=CS3)[N+](=O)[O-]

InChI

InChI=1S/C18H18N6O4S/c1-11(2)9-28-17(25)12-3-5-13(6-4-12)22-15-14(24(26)27)16(21-10-20-15)23-18-19-7-8-29-18/h3-8,10-11H,9H2,1-2H3,(H2,19,20,21,22,23)