2-[(3-hexyl-4-oxidanylidene-quinazolin-2-yl)sulfanylmethyl]-1H-thieno[3,2-d]pyrimidin-4-one

Systemtic Name: 2-[(3-hexyl-4-oxidanylidene-quinazolin-2-yl)sulfanylmethyl]-1H-thieno[3,2-d]pyrimidin-4-one Openeye Name: 2-[(3-hexyl-4-oxo-quinazolin-2-yl)sulfanylmethyl]-1H-thieno[3,2-d]pyrimidin-4-one CAS Name: 2-[[(3-hexyl-4-oxo-2-quinazolinyl)thio]methyl]-1H-thieno[3,2-d]pyrimidin-4-one IUPAC Name: 2-[(3-hexyl-4-oxoquinazolin-2-yl)sulfanylmethyl]-1H-thieno[3,2-d]pyrimidin-4-one Traditional Name: 2-[[(3-hexyl-4-keto-quinazolin-2-yl)thio]methyl]-1H-thieno[3,2-d]pyrimidin-4-one Formula: C21H22N4O2S2 MolecularWeight: 426.55498

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCN1C(=O)C2=CC=CC=C2N=C1SCC3=NC(=O)C4=C(N3)C=CS4

Isomeric SMILES

CCCCCCN1C(=O)C2=CC=CC=C2N=C1SCC3=NC(=O)C4=C(N3)C=CS4

InChI

InChI=1S/C21H22N4O2S2/c1-2-3-4-7-11-25-20(27)14-8-5-6-9-15(14)23-21(25)29-13-17-22-16-10-12-28-18(16)19(26)24-17/h5-6,8-10,12H,2-4,7,11,13H2,1H3,(H,22,24,26)