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

Systemtic Name: 2-[(3-cyclopentyl-4-oxidanylidene-quinazolin-2-yl)sulfanylmethyl]-5,6-dimethyl-3H-thieno[2,3-d]pyrimidin-4-one Openeye Name: 2-[(3-cyclopentyl-4-oxo-quinazolin-2-yl)sulfanylmethyl]-5,6-dimethyl-3H-thieno[2,3-d]pyrimidin-4-one CAS Name: 2-[[(3-cyclopentyl-4-oxo-2-quinazolinyl)thio]methyl]-5,6-dimethyl-3H-thieno[2,3-d]pyrimidin-4-one IUPAC Name: 2-[(3-cyclopentyl-4-oxoquinazolin-2-yl)sulfanylmethyl]-5,6-dimethyl-3H-thieno[2,3-d]pyrimidin-4-one Traditional Name: 2-[[(3-cyclopentyl-4-keto-quinazolin-2-yl)thio]methyl]-5,6-dimethyl-3H-thieno[2,3-d]pyrimidin-4-one Formula: C22H22N4O2S2 MolecularWeight: 438.56568

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC2=C1C(=O)NC(=N2)CSC3=NC4=CC=CC=C4C(=O)N3C5CCCC5)C

Isomeric SMILES

CC1=C(SC2=C1C(=O)NC(=N2)CSC3=NC4=CC=CC=C4C(=O)N3C5CCCC5)C

InChI

InChI=1S/C22H22N4O2S2/c1-12-13(2)30-20-18(12)19(27)24-17(25-20)11-29-22-23-16-10-6-5-9-15(16)21(28)26(22)14-7-3-4-8-14/h5-6,9-10,14H,3-4,7-8,11H2,1-2H3,(H,24,25,27)