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

Systemtic Name: 2-[(3-cyclopropyl-4-oxidanylidene-quinazolin-2-yl)sulfanylmethyl]-6-methyl-5-(4-methylphenyl)-3H-thieno[2,3-d]pyrimidin-4-one Openeye Name: 2-[(3-cyclopropyl-4-oxo-quinazolin-2-yl)sulfanylmethyl]-6-methyl-5-(p-tolyl)-3H-thieno[2,3-d]pyrimidin-4-one CAS Name: 2-[[(3-cyclopropyl-4-oxo-2-quinazolinyl)thio]methyl]-6-methyl-5-(4-methylphenyl)-3H-thieno[2,3-d]pyrimidin-4-one IUPAC Name: 2-[(3-cyclopropyl-4-oxoquinazolin-2-yl)sulfanylmethyl]-6-methyl-5-(4-methylphenyl)-3H-thieno[2,3-d]pyrimidin-4-one Traditional Name: 2-[[(3-cyclopropyl-4-keto-quinazolin-2-yl)thio]methyl]-6-methyl-5-(p-tolyl)-3H-thieno[2,3-d]pyrimidin-4-one Formula: C26H22N4O2S2 MolecularWeight: 486.60848

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C2=C(SC3=C2C(=O)NC(=N3)CSC4=NC5=CC=CC=C5C(=O)N4C6CC6)C

Isomeric SMILES

CC1=CC=C(C=C1)C2=C(SC3=C2C(=O)NC(=N3)CSC4=NC5=CC=CC=C5C(=O)N4C6CC6)C

InChI

InChI=1S/C26H22N4O2S2/c1-14-7-9-16(10-8-14)21-15(2)34-24-22(21)23(31)28-20(29-24)13-33-26-27-19-6-4-3-5-18(19)25(32)30(26)17-11-12-17/h3-10,17H,11-13H2,1-2H3,(H,28,29,31)