1-[3-[6,7-bis(azanyl)-4-oxidanylidene-1H-quinazolin-2-yl]-4-propoxy-phenyl]sulfonylpiperidine-3-carboxylic acid

Systemtic Name: 1-[3-[6,7-bis(azanyl)-4-oxidanylidene-1H-quinazolin-2-yl]-4-propoxy-phenyl]sulfonylpiperidine-3-carboxylic acid Openeye Name: 1-[3-(6,7-diamino-4-oxo-1H-quinazolin-2-yl)-4-propoxy-phenyl]sulfonylpiperidine-3-carboxylic acid CAS Name: 1-[3-(6,7-diamino-4-oxo-1H-quinazolin-2-yl)-4-propoxyphenyl]sulfonyl-3-piperidinecarboxylic acid IUPAC Name: 1-[3-(6,7-diamino-4-oxo-1H-quinazolin-2-yl)-4-propoxyphenyl]sulfonylpiperidine-3-carboxylic acid Traditional Name: 1-[3-(6,7-diamino-4-keto-1H-quinazolin-2-yl)-4-propoxy-phenyl]sulfonylnipecotic acid Formula: C23H27N5O6S MolecularWeight: 501.55538

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Descriptors Computed from Structure

Canonical SMILES:

CCCOC1=C(C=C(C=C1)S(=O)(=O)N2CCCC(C2)C(=O)O)C3=NC(=O)C4=CC(=C(C=C4N3)N)N

Isomeric SMILES

CCCOC1=C(C=C(C=C1)S(=O)(=O)N2CCCC(C2)C(=O)O)C3=NC(=O)C4=CC(=C(C=C4N3)N)N

InChI

InChI=1S/C23H27N5O6S/c1-2-8-34-20-6-5-14(35(32,33)28-7-3-4-13(12-28)23(30)31)9-16(20)21-26-19-11-18(25)17(24)10-15(19)22(29)27-21/h5-6,9-11,13H,2-4,7-8,12,24-25H2,1H3,(H,30,31)(H,26,27,29)