N,3-bis(furan-2-ylmethyl)-4-oxidanylidene-2-[1-oxidanylidene-1-(pyridin-3-ylmethylamino)butan-2-yl]sulfanyl-quinazoline-7-carboxamide

Systemtic Name: N,3-bis(furan-2-ylmethyl)-4-oxidanylidene-2-[1-oxidanylidene-1-(pyridin-3-ylmethylamino)butan-2-yl]sulfanyl-quinazoline-7-carboxamide Openeye Name: N,3-bis(2-furylmethyl)-4-oxo-2-[1-(3-pyridylmethylcarbamoyl)propylsulfanyl]quinazoline-7-carboxamide CAS Name: N,3-bis(2-furanylmethyl)-4-oxo-2-[[1-oxo-1-(3-pyridinylmethylamino)butan-2-yl]thio]-7-quinazolinecarboxamide IUPAC Name: N,3-bis(furan-2-ylmethyl)-4-oxo-2-[1-oxo-1-(pyridin-3-ylmethylamino)butan-2-yl]sulfanylquinazoline-7-carboxamide Traditional Name: N,3-bis(2-furfuryl)-4-keto-2-[1-(3-pyridylmethylcarbamoyl)propylthio]quinazoline-7-carboxamide Formula: C29H27N5O5S MolecularWeight: 557.62018

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C(=O)NCC1=CN=CC=C1)SC2=NC3=C(C=CC(=C3)C(=O)NCC4=CC=CO4)C(=O)N2CC5=CC=CO5

Isomeric SMILES

CCC(C(=O)NCC1=CN=CC=C1)SC2=NC3=C(C=CC(=C3)C(=O)NCC4=CC=CO4)C(=O)N2CC5=CC=CO5

InChI

InChI=1S/C29H27N5O5S/c1-2-25(27(36)31-16-19-6-3-11-30-15-19)40-29-33-24-14-20(26(35)32-17-21-7-4-12-38-21)9-10-23(24)28(37)34(29)18-22-8-5-13-39-22/h3-15,25H,2,16-18H2,1H3,(H,31,36)(H,32,35)