ethyl 4-azanyl-2-[[4-(ethylamino)quinazolin-2-yl]sulfanylmethyl]-5-methyl-thieno[2,3-d]pyrimidine-6-carboxylate

Systemtic Name: ethyl 4-azanyl-2-[[4-(ethylamino)quinazolin-2-yl]sulfanylmethyl]-5-methyl-thieno[2,3-d]pyrimidine-6-carboxylate Openeye Name: ethyl 4-amino-2-[[4-(ethylamino)quinazolin-2-yl]sulfanylmethyl]-5-methyl-thieno[2,3-d]pyrimidine-6-carboxylate CAS Name: 4-amino-2-[[[4-(ethylamino)-2-quinazolinyl]thio]methyl]-5-methyl-6-thieno[2,3-d]pyrimidinecarboxylic acid ethyl ester IUPAC Name: ethyl 4-amino-2-[[4-(ethylamino)quinazolin-2-yl]sulfanylmethyl]-5-methylthieno[2,3-d]pyrimidine-6-carboxylate Traditional Name: 4-amino-2-[[[4-(ethylamino)quinazolin-2-yl]thio]methyl]-5-methyl-thieno[2,3-d]pyrimidine-6-carboxylic acid ethyl ester Formula: C21H22N6O2S2 MolecularWeight: 454.56838

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Descriptors Computed from Structure

Canonical SMILES:

CCNC1=NC(=NC2=CC=CC=C21)SCC3=NC(=C4C(=C(SC4=N3)C(=O)OCC)C)N

Isomeric SMILES

CCNC1=NC(=NC2=CC=CC=C21)SCC3=NC(=C4C(=C(SC4=N3)C(=O)OCC)C)N

InChI

InChI=1S/C21H22N6O2S2/c1-4-23-18-12-8-6-7-9-13(12)24-21(27-18)30-10-14-25-17(22)15-11(3)16(20(28)29-5-2)31-19(15)26-14/h6-9H,4-5,10H2,1-3H3,(H2,22,25,26)(H,23,24,27)