N,N-diethyl-4-[[6-(2-morpholin-4-ylethylamino)-5-nitro-pyrimidin-4-yl]amino]benzenesulfonamide

Systemtic Name: N,N-diethyl-4-[[6-(2-morpholin-4-ylethylamino)-5-nitro-pyrimidin-4-yl]amino]benzenesulfonamide Openeye Name: N,N-diethyl-4-[[6-(2-morpholinoethylamino)-5-nitro-pyrimidin-4-yl]amino]benzenesulfonamide CAS Name: N,N-diethyl-4-[[6-[2-(4-morpholinyl)ethylamino]-5-nitro-4-pyrimidinyl]amino]benzenesulfonamide IUPAC Name: N,N-diethyl-4-[[6-(2-morpholin-4-ylethylamino)-5-nitropyrimidin-4-yl]amino]benzenesulfonamide Traditional Name: N,N-diethyl-4-[[6-(2-morpholinoethylamino)-5-nitro-pyrimidin-4-yl]amino]benzenesulfonamide Formula: C20H29N7O5S MolecularWeight: 479.55316

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)S(=O)(=O)C1=CC=C(C=C1)NC2=C(C(=NC=N2)NCCN3CCOCC3)[N+](=O)[O-]

Isomeric SMILES

CCN(CC)S(=O)(=O)C1=CC=C(C=C1)NC2=C(C(=NC=N2)NCCN3CCOCC3)[N+](=O)[O-]

InChI

InChI=1S/C20H29N7O5S/c1-3-26(4-2)33(30,31)17-7-5-16(6-8-17)24-20-18(27(28)29)19(22-15-23-20)21-9-10-25-11-13-32-14-12-25/h5-8,15H,3-4,9-14H2,1-2H3,(H2,21,22,23,24)