ethyl 4-azanyl-2-[(1-ethylbenzimidazol-2-yl)sulfanylmethyl]-5-methyl-thieno[2,3-d]pyrimidine-6-carboxylate

Systemtic Name: ethyl 4-azanyl-2-[(1-ethylbenzimidazol-2-yl)sulfanylmethyl]-5-methyl-thieno[2,3-d]pyrimidine-6-carboxylate Openeye Name: ethyl 4-amino-2-[(1-ethylbenzimidazol-2-yl)sulfanylmethyl]-5-methyl-thieno[2,3-d]pyrimidine-6-carboxylate CAS Name: 4-amino-2-[[(1-ethyl-2-benzimidazolyl)thio]methyl]-5-methyl-6-thieno[2,3-d]pyrimidinecarboxylic acid ethyl ester IUPAC Name: ethyl 4-amino-2-[(1-ethylbenzimidazol-2-yl)sulfanylmethyl]-5-methylthieno[2,3-d]pyrimidine-6-carboxylate Traditional Name: 4-amino-2-[[(1-ethylbenzimidazol-2-yl)thio]methyl]-5-methyl-thieno[2,3-d]pyrimidine-6-carboxylic acid ethyl ester Formula: C20H21N5O2S2 MolecularWeight: 427.54304

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C2=CC=CC=C2N=C1SCC3=NC(=C4C(=C(SC4=N3)C(=O)OCC)C)N

Isomeric SMILES

CCN1C2=CC=CC=C2N=C1SCC3=NC(=C4C(=C(SC4=N3)C(=O)OCC)C)N

InChI

InChI=1S/C20H21N5O2S2/c1-4-25-13-9-7-6-8-12(13)22-20(25)28-10-14-23-17(21)15-11(3)16(19(26)27-5-2)29-18(15)24-14/h6-9H,4-5,10H2,1-3H3,(H2,21,23,24)