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

Systemtic Name: 5-methyl-4-oxidanylidene-2-[(2-thiophen-2-ylquinazolin-4-yl)sulfanylmethyl]-3H-thieno[2,3-d]pyrimidine-6-carboxylate Openeye Name: 5-methyl-4-oxo-2-[[2-(2-thienyl)quinazolin-4-yl]sulfanylmethyl]-3H-thieno[2,3-d]pyrimidine-6-carboxylate CAS Name: 5-methyl-4-oxo-2-[[(2-thiophen-2-yl-4-quinazolinyl)thio]methyl]-3H-thieno[2,3-d]pyrimidine-6-carboxylate IUPAC Name: 5-methyl-4-oxo-2-[(2-thiophen-2-ylquinazolin-4-yl)sulfanylmethyl]-3H-thieno[2,3-d]pyrimidine-6-carboxylate Traditional Name: 4-keto-5-methyl-2-[[[2-(2-thienyl)quinazolin-4-yl]thio]methyl]-3H-thieno[2,3-d]pyrimidine-6-carboxylate Formula: C21H13N4O3S3- MolecularWeight: 465.54792

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC2=C1C(=O)NC(=N2)CSC3=NC(=NC4=CC=CC=C43)C5=CC=CS5)C(=O)[O-]

Isomeric SMILES

CC1=C(SC2=C1C(=O)NC(=N2)CSC3=NC(=NC4=CC=CC=C43)C5=CC=CS5)C(=O)[O-]

InChI

InChI=1S/C21H14N4O3S3/c1-10-15-18(26)23-14(24-20(15)31-16(10)21(27)28)9-30-19-11-5-2-3-6-12(11)22-17(25-19)13-7-4-8-29-13/h2-8H,9H2,1H3,(H,27,28)(H,23,24,26)/p-1