5,6-dimethyl-2-[[3-(3-methylbutyl)-4-oxidanylidene-quinazolin-2-yl]sulfanylmethyl]-3H-thieno[2,3-d]pyrimidin-4-one

Systemtic Name: 5,6-dimethyl-2-[[3-(3-methylbutyl)-4-oxidanylidene-quinazolin-2-yl]sulfanylmethyl]-3H-thieno[2,3-d]pyrimidin-4-one Openeye Name: 2-[(3-isopentyl-4-oxo-quinazolin-2-yl)sulfanylmethyl]-5,6-dimethyl-3H-thieno[2,3-d]pyrimidin-4-one CAS Name: 5,6-dimethyl-2-[[[3-(3-methylbutyl)-4-oxo-2-quinazolinyl]thio]methyl]-3H-thieno[2,3-d]pyrimidin-4-one IUPAC Name: 5,6-dimethyl-2-[[3-(3-methylbutyl)-4-oxoquinazolin-2-yl]sulfanylmethyl]-3H-thieno[2,3-d]pyrimidin-4-one Traditional Name: 2-[[(3-isoamyl-4-keto-quinazolin-2-yl)thio]methyl]-5,6-dimethyl-3H-thieno[2,3-d]pyrimidin-4-one Formula: C22H24N4O2S2 MolecularWeight: 440.58156

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC2=C1C(=O)NC(=N2)CSC3=NC4=CC=CC=C4C(=O)N3CCC(C)C)C

Isomeric SMILES

CC1=C(SC2=C1C(=O)NC(=N2)CSC3=NC4=CC=CC=C4C(=O)N3CCC(C)C)C

InChI

InChI=1S/C22H24N4O2S2/c1-12(2)9-10-26-21(28)15-7-5-6-8-16(15)23-22(26)29-11-17-24-19(27)18-13(3)14(4)30-20(18)25-17/h5-8,12H,9-11H2,1-4H3,(H,24,25,27)