2-[(6-azanyl-5-nitro-pyrimidin-4-yl)amino]ethyl N-(4-methylphenyl)sulfonylcarbamate

Systemtic Name: 2-[(6-azanyl-5-nitro-pyrimidin-4-yl)amino]ethyl N-(4-methylphenyl)sulfonylcarbamate Openeye Name: 2-[(6-amino-5-nitro-pyrimidin-4-yl)amino]ethyl N-(p-tolylsulfonyl)carbamate CAS Name: N-(4-methylphenyl)sulfonylcarbamic acid 2-[(6-amino-5-nitro-4-pyrimidinyl)amino]ethyl ester IUPAC Name: 2-[(6-amino-5-nitropyrimidin-4-yl)amino]ethyl N-(4-methylphenyl)sulfonylcarbamate Traditional Name: N-tosylcarbamic acid 2-[(6-amino-5-nitro-pyrimidin-4-yl)amino]ethyl ester Formula: C14H16N6O6S MolecularWeight: 396.37844

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)NC(=O)OCCNC2=NC=NC(=C2[N+](=O)[O-])N

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)NC(=O)OCCNC2=NC=NC(=C2[N+](=O)[O-])N

InChI

InChI=1S/C14H16N6O6S/c1-9-2-4-10(5-3-9)27(24,25)19-14(21)26-7-6-16-13-11(20(22)23)12(15)17-8-18-13/h2-5,8H,6-7H2,1H3,(H,19,21)(H3,15,16,17,18)