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

Systemtic Name: 3-[6-(4-ethylpiperazin-1-yl)-6-oxidanylidene-hexyl]-2-sulfanylidene-1H-quinazolin-4-one Openeye Name: 3-[6-(4-ethylpiperazin-1-yl)-6-oxo-hexyl]-2-thioxo-1H-quinazolin-4-one CAS Name: 3-[6-(4-ethyl-1-piperazinyl)-6-oxohexyl]-2-sulfanylidene-1H-quinazolin-4-one IUPAC Name: 3-[6-(4-ethylpiperazin-1-yl)-6-oxohexyl]-2-sulfanylidene-1H-quinazolin-4-one Traditional Name: 3-[6-(4-ethylpiperazino)-6-keto-hexyl]-2-thioxo-1H-quinazolin-4-one Formula: C20H28N4O2S MolecularWeight: 388.52692

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Descriptors Computed from Structure

Canonical SMILES:

CCN1CCN(CC1)C(=O)CCCCCN2C(=O)C3=CC=CC=C3NC2=S

Isomeric SMILES

CCN1CCN(CC1)C(=O)CCCCCN2C(=O)C3=CC=CC=C3NC2=S

InChI

InChI=1S/C20H28N4O2S/c1-2-22-12-14-23(15-13-22)18(25)10-4-3-7-11-24-19(26)16-8-5-6-9-17(16)21-20(24)27/h5-6,8-9H,2-4,7,10-15H2,1H3,(H,21,27)