tert-butyl 2-[methyl-[5-nitro-6-[(4-sulfamoylphenyl)methylamino]pyrimidin-4-yl]amino]ethanoate

Systemtic Name: tert-butyl 2-[methyl-[5-nitro-6-[(4-sulfamoylphenyl)methylamino]pyrimidin-4-yl]amino]ethanoate Openeye Name: tert-butyl 2-[methyl-[5-nitro-6-[(4-sulfamoylphenyl)methylamino]pyrimidin-4-yl]amino]acetate CAS Name: 2-[methyl-[5-nitro-6-[(4-sulfamoylphenyl)methylamino]-4-pyrimidinyl]amino]acetic acid tert-butyl ester IUPAC Name: tert-butyl 2-[methyl-[5-nitro-6-[(4-sulfamoylphenyl)methylamino]pyrimidin-4-yl]amino]acetate Traditional Name: 2-[methyl-[5-nitro-6-[(4-sulfamoylbenzyl)amino]pyrimidin-4-yl]amino]acetic acid tert-butyl ester Formula: C18H24N6O6S MolecularWeight: 452.48476

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)CN(C)C1=NC=NC(=C1[N+](=O)[O-])NCC2=CC=C(C=C2)S(=O)(=O)N

Isomeric SMILES

CC(C)(C)OC(=O)CN(C)C1=NC=NC(=C1[N+](=O)[O-])NCC2=CC=C(C=C2)S(=O)(=O)N

InChI

InChI=1S/C18H24N6O6S/c1-18(2,3)30-14(25)10-23(4)17-15(24(26)27)16(21-11-22-17)20-9-12-5-7-13(8-6-12)31(19,28)29/h5-8,11H,9-10H2,1-4H3,(H2,19,28,29)(H,20,21,22)