1-ethyl-4-[3-(8-oxidanylidene-1,5-dihydroimidazo[4,5-g]quinazolin-6-yl)-4-propoxy-phenyl]sulfonyl-piperazine-2-carboxylic acid

Systemtic Name: 1-ethyl-4-[3-(8-oxidanylidene-1,5-dihydroimidazo[4,5-g]quinazolin-6-yl)-4-propoxy-phenyl]sulfonyl-piperazine-2-carboxylic acid Openeye Name: 1-ethyl-4-[3-(8-oxo-1,5-dihydroimidazo[4,5-g]quinazolin-6-yl)-4-propoxy-phenyl]sulfonyl-piperazine-2-carboxylic acid CAS Name: 1-ethyl-4-[3-(8-oxo-1,5-dihydroimidazo[4,5-g]quinazolin-6-yl)-4-propoxyphenyl]sulfonyl-2-piperazinecarboxylic acid IUPAC Name: 1-ethyl-4-[3-(8-oxo-1,5-dihydroimidazo[4,5-g]quinazolin-6-yl)-4-propoxyphenyl]sulfonylpiperazine-2-carboxylic acid Traditional Name: 1-ethyl-4-[3-(8-keto-1,5-dihydroimidazo[4,5-g]quinazolin-6-yl)-4-propoxy-phenyl]sulfonyl-piperazine-2-carboxylic acid Formula: C25H28N6O6S MolecularWeight: 540.59142

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Descriptors Computed from Structure

Canonical SMILES:

CCCOC1=C(C=C(C=C1)S(=O)(=O)N2CCN(C(C2)C(=O)O)CC)C3=NC(=O)C4=CC5=C(C=C4N3)N=CN5

Isomeric SMILES

CCCOC1=C(C=C(C=C1)S(=O)(=O)N2CCN(C(C2)C(=O)O)CC)C3=NC(=O)C4=CC5=C(C=C4N3)N=CN5

InChI

InChI=1S/C25H28N6O6S/c1-3-9-37-22-6-5-15(38(35,36)31-8-7-30(4-2)21(13-31)25(33)34)10-17(22)23-28-18-12-20-19(26-14-27-20)11-16(18)24(32)29-23/h5-6,10-12,14,21H,3-4,7-9,13H2,1-2H3,(H,26,27)(H,33,34)(H,28,29,32)