1-(4-methylpiperidin-1-yl)-2-[4-[(phenylmethyl)amino]quinazolin-2-yl]sulfanyl-ethanone

Systemtic Name: 1-(4-methylpiperidin-1-yl)-2-[4-[(phenylmethyl)amino]quinazolin-2-yl]sulfanyl-ethanone Openeye Name: 2-[4-(benzylamino)quinazolin-2-yl]sulfanyl-1-(4-methyl-1-piperidyl)ethanone CAS Name: 1-(4-methyl-1-piperidinyl)-2-[[4-[(phenylmethyl)amino]-2-quinazolinyl]thio]ethanone IUPAC Name: 2-[4-(benzylamino)quinazolin-2-yl]sulfanyl-1-(4-methylpiperidin-1-yl)ethanone Traditional Name: 2-[[4-(benzylamino)quinazolin-2-yl]thio]-1-(4-methylpiperidino)ethanone Formula: C23H26N4OS MolecularWeight: 406.54374

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCN(CC1)C(=O)CSC2=NC3=CC=CC=C3C(=N2)NCC4=CC=CC=C4

Isomeric SMILES

CC1CCN(CC1)C(=O)CSC2=NC3=CC=CC=C3C(=N2)NCC4=CC=CC=C4

InChI

InChI=1S/C23H26N4OS/c1-17-11-13-27(14-12-17)21(28)16-29-23-25-20-10-6-5-9-19(20)22(26-23)24-15-18-7-3-2-4-8-18/h2-10,17H,11-16H2,1H3,(H,24,25,26)