2-[4-(methylamino)quinazolin-2-yl]sulfanyl-1-[(3S)-3-methylpiperidin-1-yl]ethanone

Systemtic Name: 2-[4-(methylamino)quinazolin-2-yl]sulfanyl-1-[(3S)-3-methylpiperidin-1-yl]ethanone Openeye Name: 2-[4-(methylamino)quinazolin-2-yl]sulfanyl-1-[(3S)-3-methyl-1-piperidyl]ethanone CAS Name: 2-[[4-(methylamino)-2-quinazolinyl]thio]-1-[(3S)-3-methyl-1-piperidinyl]ethanone IUPAC Name: 2-[4-(methylamino)quinazolin-2-yl]sulfanyl-1-[(3S)-3-methylpiperidin-1-yl]ethanone Traditional Name: 2-[[4-(methylamino)quinazolin-2-yl]thio]-1-[(3S)-3-methylpiperidino]ethanone Formula: C17H22N4OS MolecularWeight: 330.44778

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCCN(C1)C(=O)CSC2=NC3=CC=CC=C3C(=N2)NC

Isomeric SMILES

C[C@H]1CCCN(C1)C(=O)CSC2=NC3=CC=CC=C3C(=N2)NC

InChI

InChI=1S/C17H22N4OS/c1-12-6-5-9-21(10-12)15(22)11-23-17-19-14-8-4-3-7-13(14)16(18-2)20-17/h3-4,7-8,12H,5-6,9-11H2,1-2H3,(H,18,19,20)/t12-/m0/s1