2-[2-[4-(furan-2-ylcarbonyl)piperazin-1-yl]-2-oxidanylidene-ethyl]sulfanyl-3-hexyl-quinazolin-4-one

Systemtic Name: 2-[2-[4-(furan-2-ylcarbonyl)piperazin-1-yl]-2-oxidanylidene-ethyl]sulfanyl-3-hexyl-quinazolin-4-one Openeye Name: 2-[2-[4-(furan-2-carbonyl)piperazin-1-yl]-2-oxo-ethyl]sulfanyl-3-hexyl-quinazolin-4-one CAS Name: 2-[[2-[4-[2-furanyl(oxo)methyl]-1-piperazinyl]-2-oxoethyl]thio]-3-hexyl-4-quinazolinone IUPAC Name: 2-[2-[4-(furan-2-carbonyl)piperazin-1-yl]-2-oxoethyl]sulfanyl-3-hexylquinazolin-4-one Traditional Name: 2-[[2-[4-(2-furoyl)piperazino]-2-keto-ethyl]thio]-3-hexyl-quinazolin-4-one Formula: C25H30N4O4S MolecularWeight: 482.5951

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCN1C(=O)C2=CC=CC=C2N=C1SCC(=O)N3CCN(CC3)C(=O)C4=CC=CO4

Isomeric SMILES

CCCCCCN1C(=O)C2=CC=CC=C2N=C1SCC(=O)N3CCN(CC3)C(=O)C4=CC=CO4

InChI

InChI=1S/C25H30N4O4S/c1-2-3-4-7-12-29-23(31)19-9-5-6-10-20(19)26-25(29)34-18-22(30)27-13-15-28(16-14-27)24(32)21-11-8-17-33-21/h5-6,8-11,17H,2-4,7,12-16,18H2,1H3