6-(4-oxidanylidene-2-sulfanylidene-1H-quinazolin-3-yl)-N-[1-(oxolan-2-ylmethyl)pyrazol-4-yl]hexanamide

Systemtic Name: 6-(4-oxidanylidene-2-sulfanylidene-1H-quinazolin-3-yl)-N-[1-(oxolan-2-ylmethyl)pyrazol-4-yl]hexanamide Openeye Name: 6-(4-oxo-2-thioxo-1H-quinazolin-3-yl)-N-[1-(tetrahydrofuran-2-ylmethyl)pyrazol-4-yl]hexanamide CAS Name: N-[1-(2-oxolanylmethyl)-4-pyrazolyl]-6-(4-oxo-2-sulfanylidene-1H-quinazolin-3-yl)hexanamide IUPAC Name: N-[1-(oxolan-2-ylmethyl)pyrazol-4-yl]-6-(4-oxo-2-sulfanylidene-1H-quinazolin-3-yl)hexanamide Traditional Name: 6-(4-keto-2-thioxo-1H-quinazolin-3-yl)-N-[1-(tetrahydrofurfuryl)pyrazol-4-yl]hexanamide Formula: C22H27N5O3S MolecularWeight: 441.54648

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(OC1)CN2C=C(C=N2)NC(=O)CCCCCN3C(=O)C4=CC=CC=C4NC3=S

Isomeric SMILES

C1CC(OC1)CN2C=C(C=N2)NC(=O)CCCCCN3C(=O)C4=CC=CC=C4NC3=S

InChI

InChI=1S/C22H27N5O3S/c28-20(24-16-13-23-26(14-16)15-17-7-6-12-30-17)10-2-1-5-11-27-21(29)18-8-3-4-9-19(18)25-22(27)31/h3-4,8-9,13-14,17H,1-2,5-7,10-12,15H2,(H,24,28)(H,25,31)