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

Systemtic Name: 7-azanyl-6-nitro-2-[5-[4-(phenylmethyl)piperazin-1-yl]sulfonyl-2-propoxy-phenyl]-1H-quinazolin-4-one Openeye Name: 7-amino-2-[5-(4-benzylpiperazin-1-yl)sulfonyl-2-propoxy-phenyl]-6-nitro-1H-quinazolin-4-one CAS Name: 7-amino-6-nitro-2-[5-[[4-(phenylmethyl)-1-piperazinyl]sulfonyl]-2-propoxyphenyl]-1H-quinazolin-4-one IUPAC Name: 7-amino-2-[5-(4-benzylpiperazin-1-yl)sulfonyl-2-propoxyphenyl]-6-nitro-1H-quinazolin-4-one Traditional Name: 7-amino-2-[5-(4-benzylpiperazino)sulfonyl-2-propoxy-phenyl]-6-nitro-1H-quinazolin-4-one Formula: C28H30N6O6S MolecularWeight: 578.6394

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Descriptors Computed from Structure

Canonical SMILES:

CCCOC1=C(C=C(C=C1)S(=O)(=O)N2CCN(CC2)CC3=CC=CC=C3)C4=NC(=O)C5=CC(=C(C=C5N4)N)[N+](=O)[O-]

Isomeric SMILES

CCCOC1=C(C=C(C=C1)S(=O)(=O)N2CCN(CC2)CC3=CC=CC=C3)C4=NC(=O)C5=CC(=C(C=C5N4)N)[N+](=O)[O-]

InChI

InChI=1S/C28H30N6O6S/c1-2-14-40-26-9-8-20(41(38,39)33-12-10-32(11-13-33)18-19-6-4-3-5-7-19)15-22(26)27-30-24-17-23(29)25(34(36)37)16-21(24)28(35)31-27/h3-9,15-17H,2,10-14,18,29H2,1H3,(H,30,31,35)