4-oxidanylidene-2-[2-oxidanylidene-2-(4-phenylpiperazin-1-yl)ethyl]sulfanyl-N,3-bis(oxolan-2-ylmethyl)quinazoline-7-carboxamide

Systemtic Name: 4-oxidanylidene-2-[2-oxidanylidene-2-(4-phenylpiperazin-1-yl)ethyl]sulfanyl-N,3-bis(oxolan-2-ylmethyl)quinazoline-7-carboxamide Openeye Name: 4-oxo-2-[2-oxo-2-(4-phenylpiperazin-1-yl)ethyl]sulfanyl-N,3-bis(tetrahydrofuran-2-ylmethyl)quinazoline-7-carboxamide CAS Name: 4-oxo-N,3-bis(2-oxolanylmethyl)-2-[[2-oxo-2-(4-phenyl-1-piperazinyl)ethyl]thio]-7-quinazolinecarboxamide IUPAC Name: 4-oxo-N,3-bis(oxolan-2-ylmethyl)-2-[2-oxo-2-(4-phenylpiperazin-1-yl)ethyl]sulfanylquinazoline-7-carboxamide Traditional Name: 4-keto-2-[[2-keto-2-(4-phenylpiperazino)ethyl]thio]-N,3-bis(tetrahydrofurfuryl)quinazoline-7-carboxamide Formula: C31H37N5O5S MolecularWeight: 591.72098

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(OC1)CNC(=O)C2=CC3=C(C=C2)C(=O)N(C(=N3)SCC(=O)N4CCN(CC4)C5=CC=CC=C5)CC6CCCO6

Isomeric SMILES

C1CC(OC1)CNC(=O)C2=CC3=C(C=C2)C(=O)N(C(=N3)SCC(=O)N4CCN(CC4)C5=CC=CC=C5)CC6CCCO6

InChI

InChI=1S/C31H37N5O5S/c37-28(35-14-12-34(13-15-35)23-6-2-1-3-7-23)21-42-31-33-27-18-22(29(38)32-19-24-8-4-16-40-24)10-11-26(27)30(39)36(31)20-25-9-5-17-41-25/h1-3,6-7,10-11,18,24-25H,4-5,8-9,12-17,19-21H2,(H,32,38)