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

Systemtic Name: 2-[2-(1-methylpyrrol-2-yl)-2-oxidanylidene-ethyl]sulfanyl-3-(3-propan-2-yloxypropyl)quinazolin-4-one Openeye Name: 3-(3-isopropoxypropyl)-2-[2-(1-methylpyrrol-2-yl)-2-oxo-ethyl]sulfanyl-quinazolin-4-one CAS Name: 2-[[2-(1-methyl-2-pyrrolyl)-2-oxoethyl]thio]-3-(3-propan-2-yloxypropyl)-4-quinazolinone IUPAC Name: 2-[2-(1-methylpyrrol-2-yl)-2-oxoethyl]sulfanyl-3-(3-propan-2-yloxypropyl)quinazolin-4-one Traditional Name: 3-(3-isopropoxypropyl)-2-[[2-keto-2-(1-methylpyrrol-2-yl)ethyl]thio]quinazolin-4-one Formula: C21H25N3O3S MolecularWeight: 399.5065

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)OCCCN1C(=O)C2=CC=CC=C2N=C1SCC(=O)C3=CC=CN3C

Isomeric SMILES

CC(C)OCCCN1C(=O)C2=CC=CC=C2N=C1SCC(=O)C3=CC=CN3C

InChI

InChI=1S/C21H25N3O3S/c1-15(2)27-13-7-12-24-20(26)16-8-4-5-9-17(16)22-21(24)28-14-19(25)18-10-6-11-23(18)3/h4-6,8-11,15H,7,12-14H2,1-3H3