7-[4-(2,5-dimethylphenyl)sulfonylpiperazin-1-yl]-6-nitro-1H-quinazolin-4-one

Systemtic Name: 7-[4-(2,5-dimethylphenyl)sulfonylpiperazin-1-yl]-6-nitro-1H-quinazolin-4-one Openeye Name: 7-[4-(2,5-dimethylphenyl)sulfonylpiperazin-1-yl]-6-nitro-1H-quinazolin-4-one CAS Name: 7-[4-(2,5-dimethylphenyl)sulfonyl-1-piperazinyl]-6-nitro-1H-quinazolin-4-one IUPAC Name: 7-[4-(2,5-dimethylphenyl)sulfonylpiperazin-1-yl]-6-nitro-1H-quinazolin-4-one Traditional Name: 7-[4-(2,5-dimethylphenyl)sulfonylpiperazino]-6-nitro-1H-quinazolin-4-one Formula: C20H21N5O5S MolecularWeight: 443.47624

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)C)S(=O)(=O)N2CCN(CC2)C3=C(C=C4C(=C3)NC=NC4=O)[N+](=O)[O-]

Isomeric SMILES

CC1=CC(=C(C=C1)C)S(=O)(=O)N2CCN(CC2)C3=C(C=C4C(=C3)NC=NC4=O)[N+](=O)[O-]

InChI

InChI=1S/C20H21N5O5S/c1-13-3-4-14(2)19(9-13)31(29,30)24-7-5-23(6-8-24)17-11-16-15(10-18(17)25(27)28)20(26)22-12-21-16/h3-4,9-12H,5-8H2,1-2H3,(H,21,22,26)