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

Systemtic Name: 2-[[3-(4-butylphenyl)-4-oxidanylidene-quinazolin-2-yl]sulfanylmethyl]-1H-thieno[3,2-d]pyrimidin-4-one Openeye Name: 2-[[3-(4-butylphenyl)-4-oxo-quinazolin-2-yl]sulfanylmethyl]-1H-thieno[3,2-d]pyrimidin-4-one CAS Name: 2-[[[3-(4-butylphenyl)-4-oxo-2-quinazolinyl]thio]methyl]-1H-thieno[3,2-d]pyrimidin-4-one IUPAC Name: 2-[[3-(4-butylphenyl)-4-oxoquinazolin-2-yl]sulfanylmethyl]-1H-thieno[3,2-d]pyrimidin-4-one Traditional Name: 2-[[[3-(4-butylphenyl)-4-keto-quinazolin-2-yl]thio]methyl]-1H-thieno[3,2-d]pyrimidin-4-one Formula: C25H22N4O2S2 MolecularWeight: 474.59778

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=CC=C(C=C1)N2C(=O)C3=CC=CC=C3N=C2SCC4=NC(=O)C5=C(N4)C=CS5

Isomeric SMILES

CCCCC1=CC=C(C=C1)N2C(=O)C3=CC=CC=C3N=C2SCC4=NC(=O)C5=C(N4)C=CS5

InChI

InChI=1S/C25H22N4O2S2/c1-2-3-6-16-9-11-17(12-10-16)29-24(31)18-7-4-5-8-19(18)27-25(29)33-15-21-26-20-13-14-32-22(20)23(30)28-21/h4-5,7-14H,2-3,6,15H2,1H3,(H,26,28,30)