N,N-diethyl-4-[[5-nitro-6-(pyridin-3-ylmethylamino)pyrimidin-4-yl]amino]benzenesulfonamide

Systemtic Name: N,N-diethyl-4-[[5-nitro-6-(pyridin-3-ylmethylamino)pyrimidin-4-yl]amino]benzenesulfonamide Openeye Name: N,N-diethyl-4-[[5-nitro-6-(3-pyridylmethylamino)pyrimidin-4-yl]amino]benzenesulfonamide CAS Name: N,N-diethyl-4-[[5-nitro-6-(3-pyridinylmethylamino)-4-pyrimidinyl]amino]benzenesulfonamide IUPAC Name: N,N-diethyl-4-[[5-nitro-6-(pyridin-3-ylmethylamino)pyrimidin-4-yl]amino]benzenesulfonamide Traditional Name: N,N-diethyl-4-[[5-nitro-6-(3-pyridylmethylamino)pyrimidin-4-yl]amino]benzenesulfonamide Formula: C20H23N7O4S MolecularWeight: 457.50612

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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)NCC3=CN=CC=C3)[N+](=O)[O-]

Isomeric SMILES

CCN(CC)S(=O)(=O)C1=CC=C(C=C1)NC2=C(C(=NC=N2)NCC3=CN=CC=C3)[N+](=O)[O-]

InChI

InChI=1S/C20H23N7O4S/c1-3-26(4-2)32(30,31)17-9-7-16(8-10-17)25-20-18(27(28)29)19(23-14-24-20)22-13-15-6-5-11-21-12-15/h5-12,14H,3-4,13H2,1-2H3,(H2,22,23,24,25)