2-[(2S)-1-(4-ethylpiperazin-1-yl)-1-oxidanylidene-propan-2-yl]sulfanyl-3-(2-methylpropyl)quinazolin-4-one

Systemtic Name: 2-[(2S)-1-(4-ethylpiperazin-1-yl)-1-oxidanylidene-propan-2-yl]sulfanyl-3-(2-methylpropyl)quinazolin-4-one Openeye Name: 2-[(1S)-2-(4-ethylpiperazin-1-yl)-1-methyl-2-oxo-ethyl]sulfanyl-3-isobutyl-quinazolin-4-one CAS Name: 2-[[(2S)-1-(4-ethyl-1-piperazinyl)-1-oxopropan-2-yl]thio]-3-(2-methylpropyl)-4-quinazolinone IUPAC Name: 2-[(2S)-1-(4-ethylpiperazin-1-yl)-1-oxopropan-2-yl]sulfanyl-3-(2-methylpropyl)quinazolin-4-one Traditional Name: 2-[[(1S)-2-(4-ethylpiperazino)-2-keto-1-methyl-ethyl]thio]-3-isobutyl-quinazolin-4-one Formula: C21H30N4O2S MolecularWeight: 402.5535

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Descriptors Computed from Structure

Canonical SMILES:

CCN1CCN(CC1)C(=O)C(C)SC2=NC3=CC=CC=C3C(=O)N2CC(C)C

Isomeric SMILES

CCN1CCN(CC1)C(=O)[C@H](C)SC2=NC3=CC=CC=C3C(=O)N2CC(C)C

InChI

InChI=1S/C21H30N4O2S/c1-5-23-10-12-24(13-11-23)19(26)16(4)28-21-22-18-9-7-6-8-17(18)20(27)25(21)14-15(2)3/h6-9,15-16H,5,10-14H2,1-4H3/t16-/m0/s1