N-(4-nitrophenyl)-4-(4-piperazin-1-ylsulfonylphenyl)pyrimidin-2-amine

Systemtic Name: N-(4-nitrophenyl)-4-(4-piperazin-1-ylsulfonylphenyl)pyrimidin-2-amine Openeye Name: N-(4-nitrophenyl)-4-(4-piperazin-1-ylsulfonylphenyl)pyrimidin-2-amine CAS Name: N-(4-nitrophenyl)-4-[4-(1-piperazinylsulfonyl)phenyl]-2-pyrimidinamine IUPAC Name: N-(4-nitrophenyl)-4-(4-piperazin-1-ylsulfonylphenyl)pyrimidin-2-amine Traditional Name: (4-nitrophenyl)-[4-(4-piperazinosulfonylphenyl)pyrimidin-2-yl]amine Formula: C20H20N6O4S MolecularWeight: 440.4756

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1)S(=O)(=O)C2=CC=C(C=C2)C3=NC(=NC=C3)NC4=CC=C(C=C4)[N+](=O)[O-]

Isomeric SMILES

C1CN(CCN1)S(=O)(=O)C2=CC=C(C=C2)C3=NC(=NC=C3)NC4=CC=C(C=C4)[N+](=O)[O-]

InChI

InChI=1S/C20H20N6O4S/c27-26(28)17-5-3-16(4-6-17)23-20-22-10-9-19(24-20)15-1-7-18(8-2-15)31(29,30)25-13-11-21-12-14-25/h1-10,21H,11-14H2,(H,22,23,24)