7-azanyl-2-[5-(4-methylpiperazin-1-yl)sulfonyl-2-propoxy-phenyl]-6-nitro-1H-quinazolin-4-one

Systemtic Name: 7-azanyl-2-[5-(4-methylpiperazin-1-yl)sulfonyl-2-propoxy-phenyl]-6-nitro-1H-quinazolin-4-one Openeye Name: 7-amino-2-[5-(4-methylpiperazin-1-yl)sulfonyl-2-propoxy-phenyl]-6-nitro-1H-quinazolin-4-one CAS Name: 7-amino-2-[5-[(4-methyl-1-piperazinyl)sulfonyl]-2-propoxyphenyl]-6-nitro-1H-quinazolin-4-one IUPAC Name: 7-amino-2-[5-(4-methylpiperazin-1-yl)sulfonyl-2-propoxyphenyl]-6-nitro-1H-quinazolin-4-one Traditional Name: 7-amino-2-[5-(4-methylpiperazino)sulfonyl-2-propoxy-phenyl]-6-nitro-1H-quinazolin-4-one Formula: C22H26N6O6S MolecularWeight: 502.54344

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Descriptors Computed from Structure

Canonical SMILES:

CCCOC1=C(C=C(C=C1)S(=O)(=O)N2CCN(CC2)C)C3=NC(=O)C4=CC(=C(C=C4N3)N)[N+](=O)[O-]

Isomeric SMILES

CCCOC1=C(C=C(C=C1)S(=O)(=O)N2CCN(CC2)C)C3=NC(=O)C4=CC(=C(C=C4N3)N)[N+](=O)[O-]

InChI

InChI=1S/C22H26N6O6S/c1-3-10-34-20-5-4-14(35(32,33)27-8-6-26(2)7-9-27)11-16(20)21-24-18-13-17(23)19(28(30)31)12-15(18)22(29)25-21/h4-5,11-13H,3,6-10,23H2,1-2H3,(H,24,25,29)