2-[4-oxidanylidene-3-(oxolan-2-ylmethyl)quinazolin-2-yl]sulfanyl-N-[(1-phenylpyrazol-4-yl)methyl]ethanamide

Systemtic Name: 2-[4-oxidanylidene-3-(oxolan-2-ylmethyl)quinazolin-2-yl]sulfanyl-N-[(1-phenylpyrazol-4-yl)methyl]ethanamide Openeye Name: 2-[4-oxo-3-(tetrahydrofuran-2-ylmethyl)quinazolin-2-yl]sulfanyl-N-[(1-phenylpyrazol-4-yl)methyl]acetamide CAS Name: 2-[[4-oxo-3-(2-oxolanylmethyl)-2-quinazolinyl]thio]-N-[(1-phenyl-4-pyrazolyl)methyl]acetamide IUPAC Name: 2-[4-oxo-3-(oxolan-2-ylmethyl)quinazolin-2-yl]sulfanyl-N-[(1-phenylpyrazol-4-yl)methyl]acetamide Traditional Name: 2-[[4-keto-3-(tetrahydrofurfuryl)quinazolin-2-yl]thio]-N-[(1-phenylpyrazol-4-yl)methyl]acetamide Formula: C25H25N5O3S MolecularWeight: 475.5627

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(OC1)CN2C(=O)C3=CC=CC=C3N=C2SCC(=O)NCC4=CN(N=C4)C5=CC=CC=C5

Isomeric SMILES

C1CC(OC1)CN2C(=O)C3=CC=CC=C3N=C2SCC(=O)NCC4=CN(N=C4)C5=CC=CC=C5

InChI

InChI=1S/C25H25N5O3S/c31-23(26-13-18-14-27-30(15-18)19-7-2-1-3-8-19)17-34-25-28-22-11-5-4-10-21(22)24(32)29(25)16-20-9-6-12-33-20/h1-5,7-8,10-11,14-15,20H,6,9,12-13,16-17H2,(H,26,31)