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

Systemtic Name: 6-(4-oxidanylidene-2-sulfanylidene-1H-quinazolin-3-yl)-N-[3-(pyrrolidin-1-ylmethyl)phenyl]hexanamide Openeye Name: 6-(4-oxo-2-thioxo-1H-quinazolin-3-yl)-N-[3-(pyrrolidin-1-ylmethyl)phenyl]hexanamide CAS Name: 6-(4-oxo-2-sulfanylidene-1H-quinazolin-3-yl)-N-[3-(1-pyrrolidinylmethyl)phenyl]hexanamide IUPAC Name: 6-(4-oxo-2-sulfanylidene-1H-quinazolin-3-yl)-N-[3-(pyrrolidin-1-ylmethyl)phenyl]hexanamide Traditional Name: 6-(4-keto-2-thioxo-1H-quinazolin-3-yl)-N-[3-(pyrrolidinomethyl)phenyl]hexanamide Formula: C25H30N4O2S MolecularWeight: 450.5963

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C1)CC2=CC(=CC=C2)NC(=O)CCCCCN3C(=O)C4=CC=CC=C4NC3=S

Isomeric SMILES

C1CCN(C1)CC2=CC(=CC=C2)NC(=O)CCCCCN3C(=O)C4=CC=CC=C4NC3=S

InChI

InChI=1S/C25H30N4O2S/c30-23(26-20-10-8-9-19(17-20)18-28-14-6-7-15-28)13-2-1-5-16-29-24(31)21-11-3-4-12-22(21)27-25(29)32/h3-4,8-12,17H,1-2,5-7,13-16,18H2,(H,26,30)(H,27,32)