3-(furan-2-ylmethyl)-2-[1-oxidanylidene-1-(4-phenylpiperazin-1-yl)propan-2-yl]sulfanyl-quinazolin-4-one

Systemtic Name: 3-(furan-2-ylmethyl)-2-[1-oxidanylidene-1-(4-phenylpiperazin-1-yl)propan-2-yl]sulfanyl-quinazolin-4-one Openeye Name: 3-(2-furylmethyl)-2-[1-methyl-2-oxo-2-(4-phenylpiperazin-1-yl)ethyl]sulfanyl-quinazolin-4-one CAS Name: 3-(2-furanylmethyl)-2-[[1-oxo-1-(4-phenyl-1-piperazinyl)propan-2-yl]thio]-4-quinazolinone IUPAC Name: 3-(furan-2-ylmethyl)-2-[1-oxo-1-(4-phenylpiperazin-1-yl)propan-2-yl]sulfanylquinazolin-4-one Traditional Name: 3-(2-furfuryl)-2-[[2-keto-1-methyl-2-(4-phenylpiperazino)ethyl]thio]quinazolin-4-one Formula: C26H26N4O3S MolecularWeight: 474.57464

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)N1CCN(CC1)C2=CC=CC=C2)SC3=NC4=CC=CC=C4C(=O)N3CC5=CC=CO5

Isomeric SMILES

CC(C(=O)N1CCN(CC1)C2=CC=CC=C2)SC3=NC4=CC=CC=C4C(=O)N3CC5=CC=CO5

InChI

InChI=1S/C26H26N4O3S/c1-19(24(31)29-15-13-28(14-16-29)20-8-3-2-4-9-20)34-26-27-23-12-6-5-11-22(23)25(32)30(26)18-21-10-7-17-33-21/h2-12,17,19H,13-16,18H2,1H3