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

Systemtic Name: 6-chloranyl-2-[(2S)-1-(4-ethylpiperazin-4-ium-1-yl)-1-oxidanylidene-propan-2-yl]sulfanyl-3-(2-methylpropyl)quinazolin-4-one Openeye Name: 6-chloro-2-[(1S)-2-(4-ethylpiperazin-4-ium-1-yl)-1-methyl-2-oxo-ethyl]sulfanyl-3-isobutyl-quinazolin-4-one CAS Name: 6-chloro-2-[[(2S)-1-(4-ethyl-1-piperazin-4-iumyl)-1-oxopropan-2-yl]thio]-3-(2-methylpropyl)-4-quinazolinone IUPAC Name: 6-chloro-2-[(2S)-1-(4-ethylpiperazin-4-ium-1-yl)-1-oxopropan-2-yl]sulfanyl-3-(2-methylpropyl)quinazolin-4-one Traditional Name: 6-chloro-2-[[(1S)-2-(4-ethylpiperazin-4-ium-1-yl)-2-keto-1-methyl-ethyl]thio]-3-isobutyl-quinazolin-4-one Formula: C21H30ClN4O2S+ MolecularWeight: 438.0065

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Descriptors Computed from Structure

Canonical SMILES:

CC[NH+]1CCN(CC1)C(=O)C(C)SC2=NC3=C(C=C(C=C3)Cl)C(=O)N2CC(C)C

Isomeric SMILES

CC[NH+]1CCN(CC1)C(=O)[C@H](C)SC2=NC3=C(C=C(C=C3)Cl)C(=O)N2CC(C)C

InChI

InChI=1S/C21H29ClN4O2S/c1-5-24-8-10-25(11-9-24)19(27)15(4)29-21-23-18-7-6-16(22)12-17(18)20(28)26(21)13-14(2)3/h6-7,12,14-15H,5,8-11,13H2,1-4H3/p+1/t15-/m0/s1