3-(furan-2-ylmethyl)-2-[(4-nitrophenyl)methylsulfanyl]-4-oxidanylidene-N-(3-propan-2-yloxypropyl)quinazoline-7-carboxamide

Systemtic Name: 3-(furan-2-ylmethyl)-2-[(4-nitrophenyl)methylsulfanyl]-4-oxidanylidene-N-(3-propan-2-yloxypropyl)quinazoline-7-carboxamide Openeye Name: 3-(2-furylmethyl)-N-(3-isopropoxypropyl)-2-[(4-nitrophenyl)methylsulfanyl]-4-oxo-quinazoline-7-carboxamide CAS Name: 3-(2-furanylmethyl)-2-[(4-nitrophenyl)methylthio]-4-oxo-N-(3-propan-2-yloxypropyl)-7-quinazolinecarboxamide IUPAC Name: 3-(furan-2-ylmethyl)-2-[(4-nitrophenyl)methylsulfanyl]-4-oxo-N-(3-propan-2-yloxypropyl)quinazoline-7-carboxamide Traditional Name: 3-(2-furfuryl)-N-(3-isopropoxypropyl)-4-keto-2-[(4-nitrobenzyl)thio]quinazoline-7-carboxamide Formula: C27H28N4O6S MolecularWeight: 536.59942

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)OCCCNC(=O)C1=CC2=C(C=C1)C(=O)N(C(=N2)SCC3=CC=C(C=C3)[N+](=O)[O-])CC4=CC=CO4

Isomeric SMILES

CC(C)OCCCNC(=O)C1=CC2=C(C=C1)C(=O)N(C(=N2)SCC3=CC=C(C=C3)[N+](=O)[O-])CC4=CC=CO4

InChI

InChI=1S/C27H28N4O6S/c1-18(2)36-14-4-12-28-25(32)20-8-11-23-24(15-20)29-27(30(26(23)33)16-22-5-3-13-37-22)38-17-19-6-9-21(10-7-19)31(34)35/h3,5-11,13,15,18H,4,12,14,16-17H2,1-2H3,(H,28,32)