2-methyl-3-[3-[4-(4-methylsulfonyl-2-nitro-phenyl)piperazin-1-yl]-3-oxidanylidene-propyl]quinazolin-4-one

Systemtic Name: 2-methyl-3-[3-[4-(4-methylsulfonyl-2-nitro-phenyl)piperazin-1-yl]-3-oxidanylidene-propyl]quinazolin-4-one Openeye Name: 2-methyl-3-[3-[4-(4-methylsulfonyl-2-nitro-phenyl)piperazin-1-yl]-3-oxo-propyl]quinazolin-4-one CAS Name: 2-methyl-3-[3-[4-(4-methylsulfonyl-2-nitrophenyl)-1-piperazinyl]-3-oxopropyl]-4-quinazolinone IUPAC Name: 2-methyl-3-[3-[4-(4-methylsulfonyl-2-nitrophenyl)piperazin-1-yl]-3-oxopropyl]quinazolin-4-one Traditional Name: 3-[3-keto-3-[4-(4-mesyl-2-nitro-phenyl)piperazino]propyl]-2-methyl-quinazolin-4-one Formula: C23H25N5O6S MolecularWeight: 499.5395

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC2=CC=CC=C2C(=O)N1CCC(=O)N3CCN(CC3)C4=C(C=C(C=C4)S(=O)(=O)C)[N+](=O)[O-]

Isomeric SMILES

CC1=NC2=CC=CC=C2C(=O)N1CCC(=O)N3CCN(CC3)C4=C(C=C(C=C4)S(=O)(=O)C)[N+](=O)[O-]

InChI

InChI=1S/C23H25N5O6S/c1-16-24-19-6-4-3-5-18(19)23(30)27(16)10-9-22(29)26-13-11-25(12-14-26)20-8-7-17(35(2,33)34)15-21(20)28(31)32/h3-8,15H,9-14H2,1-2H3