3-[(2S)-1-methoxypropan-2-yl]-2-[2-oxidanylidene-2-[4-(2-phenoxyethyl)piperazin-4-ium-1-yl]ethyl]sulfanyl-quinazolin-4-one

Systemtic Name: 3-[(2S)-1-methoxypropan-2-yl]-2-[2-oxidanylidene-2-[4-(2-phenoxyethyl)piperazin-4-ium-1-yl]ethyl]sulfanyl-quinazolin-4-one Openeye Name: 3-[(1S)-2-methoxy-1-methyl-ethyl]-2-[2-oxo-2-[4-(2-phenoxyethyl)piperazin-4-ium-1-yl]ethyl]sulfanyl-quinazolin-4-one CAS Name: 3-[(2S)-1-methoxypropan-2-yl]-2-[[2-oxo-2-[4-(2-phenoxyethyl)-1-piperazin-4-iumyl]ethyl]thio]-4-quinazolinone IUPAC Name: 3-[(2S)-1-methoxypropan-2-yl]-2-[2-oxo-2-[4-(2-phenoxyethyl)piperazin-4-ium-1-yl]ethyl]sulfanylquinazolin-4-one Traditional Name: 2-[[2-keto-2-[4-(2-phenoxyethyl)piperazin-4-ium-1-yl]ethyl]thio]-3-[(1S)-2-methoxy-1-methyl-ethyl]quinazolin-4-one Formula: C26H33N4O4S+ MolecularWeight: 497.62962

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Descriptors Computed from Structure

Canonical SMILES:

CC(COC)N1C(=O)C2=CC=CC=C2N=C1SCC(=O)N3CC[NH+](CC3)CCOC4=CC=CC=C4

Isomeric SMILES

C[C@@H](COC)N1C(=O)C2=CC=CC=C2N=C1SCC(=O)N3CC[NH+](CC3)CCOC4=CC=CC=C4

InChI

InChI=1S/C26H32N4O4S/c1-20(18-33-2)30-25(32)22-10-6-7-11-23(22)27-26(30)35-19-24(31)29-14-12-28(13-15-29)16-17-34-21-8-4-3-5-9-21/h3-11,20H,12-19H2,1-2H3/p+1/t20-/m0/s1