4-[2-[(4-azanyl-6-morpholin-4-yl-5-nitro-pyrimidin-2-yl)amino]ethyl]benzenesulfonamide

Systemtic Name: 4-[2-[(4-azanyl-6-morpholin-4-yl-5-nitro-pyrimidin-2-yl)amino]ethyl]benzenesulfonamide Openeye Name: 4-[2-[(4-amino-6-morpholino-5-nitro-pyrimidin-2-yl)amino]ethyl]benzenesulfonamide CAS Name: 4-[2-[[4-amino-6-(4-morpholinyl)-5-nitro-2-pyrimidinyl]amino]ethyl]benzenesulfonamide IUPAC Name: 4-[2-[(4-amino-6-morpholin-4-yl-5-nitropyrimidin-2-yl)amino]ethyl]benzenesulfonamide Traditional Name: 4-[2-[(4-amino-6-morpholino-5-nitro-pyrimidin-2-yl)amino]ethyl]benzenesulfonamide Formula: C16H21N7O5S MolecularWeight: 423.44684

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Descriptors Computed from Structure

Canonical SMILES:

C1COCCN1C2=C(C(=NC(=N2)NCCC3=CC=C(C=C3)S(=O)(=O)N)N)[N+](=O)[O-]

Isomeric SMILES

C1COCCN1C2=C(C(=NC(=N2)NCCC3=CC=C(C=C3)S(=O)(=O)N)N)[N+](=O)[O-]

InChI

InChI=1S/C16H21N7O5S/c17-14-13(23(24)25)15(22-7-9-28-10-8-22)21-16(20-14)19-6-5-11-1-3-12(4-2-11)29(18,26)27/h1-4H,5-10H2,(H2,18,26,27)(H3,17,19,20,21)