2-[4-(3-bromophenyl)sulfonylpiperazin-1-yl]-N-cyclopropyl-5-nitro-pyrimidin-4-amine

Systemtic Name: 2-[4-(3-bromophenyl)sulfonylpiperazin-1-yl]-N-cyclopropyl-5-nitro-pyrimidin-4-amine Openeye Name: 2-[4-(3-bromophenyl)sulfonylpiperazin-1-yl]-N-cyclopropyl-5-nitro-pyrimidin-4-amine CAS Name: 2-[4-(3-bromophenyl)sulfonyl-1-piperazinyl]-N-cyclopropyl-5-nitro-4-pyrimidinamine IUPAC Name: 2-[4-(3-bromophenyl)sulfonylpiperazin-1-yl]-N-cyclopropyl-5-nitropyrimidin-4-amine Traditional Name: [2-[4-(3-bromophenyl)sulfonylpiperazino]-5-nitro-pyrimidin-4-yl]-cyclopropyl-amine Formula: C17H19BrN6O4S MolecularWeight: 483.33956

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Descriptors Computed from Structure

Canonical SMILES:

C1CC1NC2=NC(=NC=C2[N+](=O)[O-])N3CCN(CC3)S(=O)(=O)C4=CC(=CC=C4)Br

Isomeric SMILES

C1CC1NC2=NC(=NC=C2[N+](=O)[O-])N3CCN(CC3)S(=O)(=O)C4=CC(=CC=C4)Br

InChI

InChI=1S/C17H19BrN6O4S/c18-12-2-1-3-14(10-12)29(27,28)23-8-6-22(7-9-23)17-19-11-15(24(25)26)16(21-17)20-13-4-5-13/h1-3,10-11,13H,4-9H2,(H,19,20,21)