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

Systemtic Name: ethyl 4-azanyl-2-[(6-chloranyl-1H-benzimidazol-2-yl)sulfanylmethyl]-5-methyl-thieno[2,3-d]pyrimidine-6-carboxylate Openeye Name: ethyl 4-amino-2-[(6-chloro-1H-benzimidazol-2-yl)sulfanylmethyl]-5-methyl-thieno[2,3-d]pyrimidine-6-carboxylate CAS Name: 4-amino-2-[[(6-chloro-1H-benzimidazol-2-yl)thio]methyl]-5-methyl-6-thieno[2,3-d]pyrimidinecarboxylic acid ethyl ester IUPAC Name: ethyl 4-amino-2-[(6-chloro-1H-benzimidazol-2-yl)sulfanylmethyl]-5-methylthieno[2,3-d]pyrimidine-6-carboxylate Traditional Name: 4-amino-2-[[(6-chloro-1H-benzimidazol-2-yl)thio]methyl]-5-methyl-thieno[2,3-d]pyrimidine-6-carboxylic acid ethyl ester Formula: C18H16ClN5O2S2 MolecularWeight: 433.93494

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(C2=C(N=C(N=C2S1)CSC3=NC4=C(N3)C=C(C=C4)Cl)N)C

Isomeric SMILES

CCOC(=O)C1=C(C2=C(N=C(N=C2S1)CSC3=NC4=C(N3)C=C(C=C4)Cl)N)C

InChI

InChI=1S/C18H16ClN5O2S2/c1-3-26-17(25)14-8(2)13-15(20)23-12(24-16(13)28-14)7-27-18-21-10-5-4-9(19)6-11(10)22-18/h4-6H,3,7H2,1-2H3,(H,21,22)(H2,20,23,24)