6-morpholin-4-yl-3-[6-oxidanylidene-6-(4-piperidin-1-ylpiperidin-1-yl)hexyl]-2-sulfanylidene-1H-quinazolin-4-one

Systemtic Name: 6-morpholin-4-yl-3-[6-oxidanylidene-6-(4-piperidin-1-ylpiperidin-1-yl)hexyl]-2-sulfanylidene-1H-quinazolin-4-one Openeye Name: 6-morpholino-3-[6-oxo-6-[4-(1-piperidyl)-1-piperidyl]hexyl]-2-thioxo-1H-quinazolin-4-one CAS Name: 6-(4-morpholinyl)-3-[6-oxo-6-[4-(1-piperidinyl)-1-piperidinyl]hexyl]-2-sulfanylidene-1H-quinazolin-4-one IUPAC Name: 6-morpholin-4-yl-3-[6-oxo-6-(4-piperidin-1-ylpiperidin-1-yl)hexyl]-2-sulfanylidene-1H-quinazolin-4-one Traditional Name: 3-[6-keto-6-(4-piperidinopiperidino)hexyl]-6-morpholino-2-thioxo-1H-quinazolin-4-one Formula: C28H41N5O3S MolecularWeight: 527.72184

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(CC1)C2CCN(CC2)C(=O)CCCCCN3C(=O)C4=C(C=CC(=C4)N5CCOCC5)NC3=S

Isomeric SMILES

C1CCN(CC1)C2CCN(CC2)C(=O)CCCCCN3C(=O)C4=C(C=CC(=C4)N5CCOCC5)NC3=S

InChI

InChI=1S/C28H41N5O3S/c34-26(32-15-10-22(11-16-32)30-12-4-2-5-13-30)7-3-1-6-14-33-27(35)24-21-23(31-17-19-36-20-18-31)8-9-25(24)29-28(33)37/h8-9,21-22H,1-7,10-20H2,(H,29,37)