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

Systemtic Name: 6-[5-(4-ethylpiperazin-1-yl)sulfonyl-2-propoxy-phenyl]-1-(phenylmethyl)-5H-imidazo[4,5-g]quinazolin-8-one Openeye Name: 1-benzyl-6-[5-(4-ethylpiperazin-1-yl)sulfonyl-2-propoxy-phenyl]-5H-imidazo[4,5-g]quinazolin-8-one CAS Name: 6-[5-[(4-ethyl-1-piperazinyl)sulfonyl]-2-propoxyphenyl]-1-(phenylmethyl)-5H-imidazo[4,5-g]quinazolin-8-one IUPAC Name: 1-benzyl-6-[5-(4-ethylpiperazin-1-yl)sulfonyl-2-propoxyphenyl]-5H-imidazo[4,5-g]quinazolin-8-one Traditional Name: 1-benzyl-6-[5-(4-ethylpiperazino)sulfonyl-2-propoxy-phenyl]-5H-imidazo[4,5-g]quinazolin-8-one Formula: C31H34N6O4S MolecularWeight: 586.70446

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCOC1=C(C=C(C=C1)S(=O)(=O)N2CCN(CC2)CC)C3=NC(=O)C4=CC5=C(C=C4N3)N=CN5CC6=CC=CC=C6

Isomeric SMILES

CCCOC1=C(C=C(C=C1)S(=O)(=O)N2CCN(CC2)CC)C3=NC(=O)C4=CC5=C(C=C4N3)N=CN5CC6=CC=CC=C6

InChI

InChI=1S/C31H34N6O4S/c1-3-16-41-29-11-10-23(42(39,40)37-14-12-35(4-2)13-15-37)17-25(29)30-33-26-19-27-28(18-24(26)31(38)34-30)36(21-32-27)20-22-8-6-5-7-9-22/h5-11,17-19,21H,3-4,12-16,20H2,1-2H3,(H,33,34,38)