6-[5-(1-azanyl-4-methyl-piperazin-1-ium-1-yl)sulfonyl-2-propoxy-phenyl]-1-(phenylmethyl)-5H-imidazo[4,5-g]quinazolin-8-one

Systemtic Name: 6-[5-(1-azanyl-4-methyl-piperazin-1-ium-1-yl)sulfonyl-2-propoxy-phenyl]-1-(phenylmethyl)-5H-imidazo[4,5-g]quinazolin-8-one Openeye Name: 6-[5-(1-amino-4-methyl-piperazin-1-ium-1-yl)sulfonyl-2-propoxy-phenyl]-1-benzyl-5H-imidazo[4,5-g]quinazolin-8-one CAS Name: 6-[5-[(1-amino-4-methyl-1-piperazin-1-iumyl)sulfonyl]-2-propoxyphenyl]-1-(phenylmethyl)-5H-imidazo[4,5-g]quinazolin-8-one IUPAC Name: 6-[5-(1-amino-4-methylpiperazin-1-ium-1-yl)sulfonyl-2-propoxyphenyl]-1-benzyl-5H-imidazo[4,5-g]quinazolin-8-one Traditional Name: 6-[5-(1-amino-4-methyl-piperazin-1-ium-1-yl)sulfonyl-2-propoxy-phenyl]-1-benzyl-5H-imidazo[4,5-g]quinazolin-8-one Formula: C30H34N7O4S+ MolecularWeight: 588.70046

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Descriptors Computed from Structure

Canonical SMILES:

CCCOC1=C(C=C(C=C1)S(=O)(=O)[N+]2(CCN(CC2)C)N)C3=NC(=O)C4=CC5=C(C=C4N3)N=CN5CC6=CC=CC=C6

Isomeric SMILES

CCCOC1=C(C=C(C=C1)S(=O)(=O)[N+]2(CCN(CC2)C)N)C3=NC(=O)C4=CC5=C(C=C4N3)N=CN5CC6=CC=CC=C6

InChI

InChI=1S/C30H33N7O4S/c1-3-15-41-28-10-9-22(42(39,40)37(31)13-11-35(2)12-14-37)16-24(28)29-33-25-18-26-27(17-23(25)30(38)34-29)36(20-32-26)19-21-7-5-4-6-8-21/h4-10,16-18,20H,3,11-15,19,31H2,1-2H3/p+1