1-[3-(5-methyl-4-oxidanylidene-7-propyl-1H-pyrrolo[3,2-d]pyrimidin-2-yl)-4-propoxy-phenyl]sulfonylpiperidine-4-carboxylic acid

Systemtic Name: 1-[3-(5-methyl-4-oxidanylidene-7-propyl-1H-pyrrolo[3,2-d]pyrimidin-2-yl)-4-propoxy-phenyl]sulfonylpiperidine-4-carboxylic acid Openeye Name: 1-[3-(5-methyl-4-oxo-7-propyl-1H-pyrrolo[3,2-d]pyrimidin-2-yl)-4-propoxy-phenyl]sulfonylpiperidine-4-carboxylic acid CAS Name: 1-[3-(5-methyl-4-oxo-7-propyl-1H-pyrrolo[3,2-d]pyrimidin-2-yl)-4-propoxyphenyl]sulfonyl-4-piperidinecarboxylic acid IUPAC Name: 1-[3-(5-methyl-4-oxo-7-propyl-1H-pyrrolo[3,2-d]pyrimidin-2-yl)-4-propoxyphenyl]sulfonylpiperidine-4-carboxylic acid Traditional Name: 1-[3-(4-keto-5-methyl-7-propyl-1H-pyrrolo[3,2-d]pyrimidin-2-yl)-4-propoxy-phenyl]sulfonylisonipecotic acid Formula: C25H32N4O6S MolecularWeight: 516.60978

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=CN(C2=C1NC(=NC2=O)C3=C(C=CC(=C3)S(=O)(=O)N4CCC(CC4)C(=O)O)OCCC)C

Isomeric SMILES

CCCC1=CN(C2=C1NC(=NC2=O)C3=C(C=CC(=C3)S(=O)(=O)N4CCC(CC4)C(=O)O)OCCC)C

InChI

InChI=1S/C25H32N4O6S/c1-4-6-17-15-28(3)22-21(17)26-23(27-24(22)30)19-14-18(7-8-20(19)35-13-5-2)36(33,34)29-11-9-16(10-12-29)25(31)32/h7-8,14-16H,4-6,9-13H2,1-3H3,(H,31,32)(H,26,27,30)