2-(butylsulfonylamino)-5-[2-methyl-4-oxidanylidene-3-(2-piperidin-4-ylethyl)quinazolin-6-yl]pent-4-ynoic acid

Systemtic Name: 2-(butylsulfonylamino)-5-[2-methyl-4-oxidanylidene-3-(2-piperidin-4-ylethyl)quinazolin-6-yl]pent-4-ynoic acid Openeye Name: 2-(butylsulfonylamino)-5-[2-methyl-4-oxo-3-[2-(4-piperidyl)ethyl]quinazolin-6-yl]pent-4-ynoic acid CAS Name: 2-(butylsulfonylamino)-5-[2-methyl-4-oxo-3-[2-(4-piperidinyl)ethyl]-6-quinazolinyl]-4-pentynoic acid IUPAC Name: 2-(butylsulfonylamino)-5-[2-methyl-4-oxo-3-(2-piperidin-4-ylethyl)quinazolin-6-yl]pent-4-ynoic acid Traditional Name: 2-(butylsulfonylamino)-5-[4-keto-2-methyl-3-[2-(4-piperidyl)ethyl]quinazolin-6-yl]pent-4-ynoic acid Formula: C25H34N4O5S MolecularWeight: 502.62626

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Descriptors Computed from Structure

Canonical SMILES:

CCCCS(=O)(=O)NC(CC#CC1=CC2=C(C=C1)N=C(N(C2=O)CCC3CCNCC3)C)C(=O)O

Isomeric SMILES

CCCCS(=O)(=O)NC(CC#CC1=CC2=C(C=C1)N=C(N(C2=O)CCC3CCNCC3)C)C(=O)O

InChI

InChI=1S/C25H34N4O5S/c1-3-4-16-35(33,34)28-23(25(31)32)7-5-6-20-8-9-22-21(17-20)24(30)29(18(2)27-22)15-12-19-10-13-26-14-11-19/h8-9,17,19,23,26,28H,3-4,7,10-16H2,1-2H3,(H,31,32)