3-[6-oxidanylidene-6-[2-(phenylmethyl)pyrrolidin-1-yl]hexyl]-2-sulfanylidene-1H-quinazolin-4-one

Systemtic Name: 3-[6-oxidanylidene-6-[2-(phenylmethyl)pyrrolidin-1-yl]hexyl]-2-sulfanylidene-1H-quinazolin-4-one Openeye Name: 3-[6-(2-benzylpyrrolidin-1-yl)-6-oxo-hexyl]-2-thioxo-1H-quinazolin-4-one CAS Name: 3-[6-oxo-6-[2-(phenylmethyl)-1-pyrrolidinyl]hexyl]-2-sulfanylidene-1H-quinazolin-4-one IUPAC Name: 3-[6-(2-benzylpyrrolidin-1-yl)-6-oxohexyl]-2-sulfanylidene-1H-quinazolin-4-one Traditional Name: 3-[6-(2-benzylpyrrolidino)-6-keto-hexyl]-2-thioxo-1H-quinazolin-4-one Formula: C25H29N3O2S MolecularWeight: 435.58166

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(N(C1)C(=O)CCCCCN2C(=O)C3=CC=CC=C3NC2=S)CC4=CC=CC=C4

Isomeric SMILES

C1CC(N(C1)C(=O)CCCCCN2C(=O)C3=CC=CC=C3NC2=S)CC4=CC=CC=C4

InChI

InChI=1S/C25H29N3O2S/c29-23(27-17-9-12-20(27)18-19-10-3-1-4-11-19)15-5-2-8-16-28-24(30)21-13-6-7-14-22(21)26-25(28)31/h1,3-4,6-7,10-11,13-14,20H,2,5,8-9,12,15-18H2,(H,26,31)