2-[(5-piperidin-1-ylsulfonylpyridin-2-yl)sulfanylmethyl]quinazolin-4-amine

Systemtic Name: 2-[(5-piperidin-1-ylsulfonylpyridin-2-yl)sulfanylmethyl]quinazolin-4-amine Openeye Name: 2-[[5-(1-piperidylsulfonyl)-2-pyridyl]sulfanylmethyl]quinazolin-4-amine CAS Name: 2-[[[5-(1-piperidinylsulfonyl)-2-pyridinyl]thio]methyl]-4-quinazolinamine IUPAC Name: 2-[(5-piperidin-1-ylsulfonylpyridin-2-yl)sulfanylmethyl]quinazolin-4-amine Traditional Name: [2-[[(5-piperidinosulfonyl-2-pyridyl)thio]methyl]quinazolin-4-yl]amine Formula: C19H21N5O2S2 MolecularWeight: 415.53234

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(CC1)S(=O)(=O)C2=CN=C(C=C2)SCC3=NC4=CC=CC=C4C(=N3)N

Isomeric SMILES

C1CCN(CC1)S(=O)(=O)C2=CN=C(C=C2)SCC3=NC4=CC=CC=C4C(=N3)N

InChI

InChI=1S/C19H21N5O2S2/c20-19-15-6-2-3-7-16(15)22-17(23-19)13-27-18-9-8-14(12-21-18)28(25,26)24-10-4-1-5-11-24/h2-3,6-9,12H,1,4-5,10-11,13H2,(H2,20,22,23)