7-chloranyl-2-[2-(1-methylpyrrol-2-yl)-2-oxidanylidene-ethyl]sulfanyl-3-(3-propan-2-yloxypropyl)quinazolin-4-one

Systemtic Name: 7-chloranyl-2-[2-(1-methylpyrrol-2-yl)-2-oxidanylidene-ethyl]sulfanyl-3-(3-propan-2-yloxypropyl)quinazolin-4-one Openeye Name: 7-chloro-3-(3-isopropoxypropyl)-2-[2-(1-methylpyrrol-2-yl)-2-oxo-ethyl]sulfanyl-quinazolin-4-one CAS Name: 7-chloro-2-[[2-(1-methyl-2-pyrrolyl)-2-oxoethyl]thio]-3-(3-propan-2-yloxypropyl)-4-quinazolinone IUPAC Name: 7-chloro-2-[2-(1-methylpyrrol-2-yl)-2-oxoethyl]sulfanyl-3-(3-propan-2-yloxypropyl)quinazolin-4-one Traditional Name: 7-chloro-3-(3-isopropoxypropyl)-2-[[2-keto-2-(1-methylpyrrol-2-yl)ethyl]thio]quinazolin-4-one Formula: C21H24ClN3O3S MolecularWeight: 433.95156

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)OCCCN1C(=O)C2=C(C=C(C=C2)Cl)N=C1SCC(=O)C3=CC=CN3C

Isomeric SMILES

CC(C)OCCCN1C(=O)C2=C(C=C(C=C2)Cl)N=C1SCC(=O)C3=CC=CN3C

InChI

InChI=1S/C21H24ClN3O3S/c1-14(2)28-11-5-10-25-20(27)16-8-7-15(22)12-17(16)23-21(25)29-13-19(26)18-6-4-9-24(18)3/h4,6-9,12,14H,5,10-11,13H2,1-3H3