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

Systemtic Name: 5,6-dimethyl-2-[[3-(2-methylpropyl)-4-oxidanylidene-quinazolin-2-yl]sulfanylmethyl]-3H-thieno[2,3-d]pyrimidin-4-one Openeye Name: 2-[(3-isobutyl-4-oxo-quinazolin-2-yl)sulfanylmethyl]-5,6-dimethyl-3H-thieno[2,3-d]pyrimidin-4-one CAS Name: 5,6-dimethyl-2-[[[3-(2-methylpropyl)-4-oxo-2-quinazolinyl]thio]methyl]-3H-thieno[2,3-d]pyrimidin-4-one IUPAC Name: 5,6-dimethyl-2-[[3-(2-methylpropyl)-4-oxoquinazolin-2-yl]sulfanylmethyl]-3H-thieno[2,3-d]pyrimidin-4-one Traditional Name: 2-[[(3-isobutyl-4-keto-quinazolin-2-yl)thio]methyl]-5,6-dimethyl-3H-thieno[2,3-d]pyrimidin-4-one Formula: C21H22N4O2S2 MolecularWeight: 426.55498

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC2=C1C(=O)NC(=N2)CSC3=NC4=CC=CC=C4C(=O)N3CC(C)C)C

Isomeric SMILES

CC1=C(SC2=C1C(=O)NC(=N2)CSC3=NC4=CC=CC=C4C(=O)N3CC(C)C)C

InChI

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