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

Systemtic Name: 6-chloranyl-2-[(2S)-1-(4-ethylpiperazin-4-ium-1-yl)-1-oxidanylidene-propan-2-yl]sulfanyl-3-prop-2-enyl-quinazolin-4-one Openeye Name: 3-allyl-6-chloro-2-[(1S)-2-(4-ethylpiperazin-4-ium-1-yl)-1-methyl-2-oxo-ethyl]sulfanyl-quinazolin-4-one CAS Name: 6-chloro-2-[[(2S)-1-(4-ethyl-1-piperazin-4-iumyl)-1-oxopropan-2-yl]thio]-3-prop-2-enyl-4-quinazolinone IUPAC Name: 6-chloro-2-[(2S)-1-(4-ethylpiperazin-4-ium-1-yl)-1-oxopropan-2-yl]sulfanyl-3-prop-2-enylquinazolin-4-one Traditional Name: 3-allyl-6-chloro-2-[[(1S)-2-(4-ethylpiperazin-4-ium-1-yl)-2-keto-1-methyl-ethyl]thio]quinazolin-4-one Formula: C20H26ClN4O2S+ MolecularWeight: 421.96404

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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

Isomeric SMILES

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

InChI

InChI=1S/C20H25ClN4O2S/c1-4-8-25-19(27)16-13-15(21)6-7-17(16)22-20(25)28-14(3)18(26)24-11-9-23(5-2)10-12-24/h4,6-7,13-14H,1,5,8-12H2,2-3H3/p+1/t14-/m0/s1