methyl 5-methyl-2-[[3-(2-methylpropyl)-4-oxidanylidene-quinazolin-2-yl]sulfanylmethyl]-4-oxidanylidene-3H-thieno[2,3-d]pyrimidine-6-carboxylate

Systemtic Name: methyl 5-methyl-2-[[3-(2-methylpropyl)-4-oxidanylidene-quinazolin-2-yl]sulfanylmethyl]-4-oxidanylidene-3H-thieno[2,3-d]pyrimidine-6-carboxylate Openeye Name: methyl 2-[(3-isobutyl-4-oxo-quinazolin-2-yl)sulfanylmethyl]-5-methyl-4-oxo-3H-thieno[2,3-d]pyrimidine-6-carboxylate CAS Name: 5-methyl-2-[[[3-(2-methylpropyl)-4-oxo-2-quinazolinyl]thio]methyl]-4-oxo-3H-thieno[2,3-d]pyrimidine-6-carboxylic acid methyl ester IUPAC Name: methyl 5-methyl-2-[[3-(2-methylpropyl)-4-oxoquinazolin-2-yl]sulfanylmethyl]-4-oxo-3H-thieno[2,3-d]pyrimidine-6-carboxylate Traditional Name: 2-[[(3-isobutyl-4-keto-quinazolin-2-yl)thio]methyl]-4-keto-5-methyl-3H-thieno[2,3-d]pyrimidine-6-carboxylic acid methyl ester Formula: C22H22N4O4S2 MolecularWeight: 470.56448

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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(=O)OC

Isomeric SMILES

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

InChI

InChI=1S/C22H22N4O4S2/c1-11(2)9-26-20(28)13-7-5-6-8-14(13)23-22(26)31-10-15-24-18(27)16-12(3)17(21(29)30-4)32-19(16)25-15/h5-8,11H,9-10H2,1-4H3,(H,24,25,27)