7-(4-methylsulfonylpiperazin-1-yl)-6-nitro-1H-quinazolin-4-one

Systemtic Name: 7-(4-methylsulfonylpiperazin-1-yl)-6-nitro-1H-quinazolin-4-one Openeye Name: 7-(4-methylsulfonylpiperazin-1-yl)-6-nitro-1H-quinazolin-4-one CAS Name: 7-(4-methylsulfonyl-1-piperazinyl)-6-nitro-1H-quinazolin-4-one IUPAC Name: 7-(4-methylsulfonylpiperazin-1-yl)-6-nitro-1H-quinazolin-4-one Traditional Name: 7-(4-mesylpiperazino)-6-nitro-1H-quinazolin-4-one Formula: C13H15N5O5S MolecularWeight: 353.3537

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)N1CCN(CC1)C2=C(C=C3C(=C2)NC=NC3=O)[N+](=O)[O-]

Isomeric SMILES

CS(=O)(=O)N1CCN(CC1)C2=C(C=C3C(=C2)NC=NC3=O)[N+](=O)[O-]

InChI

InChI=1S/C13H15N5O5S/c1-24(22,23)17-4-2-16(3-5-17)11-7-10-9(6-12(11)18(20)21)13(19)15-8-14-10/h6-8H,2-5H2,1H3,(H,14,15,19)