ethyl 4-azanyl-5-methyl-2-[(3-oxidanyl-1-adamantyl)carbonyloxymethyl]thieno[2,3-d]pyrimidine-6-carboxylate

Systemtic Name: ethyl 4-azanyl-5-methyl-2-[(3-oxidanyl-1-adamantyl)carbonyloxymethyl]thieno[2,3-d]pyrimidine-6-carboxylate Openeye Name: ethyl 4-amino-2-[(3-hydroxyadamantane-1-carbonyl)oxymethyl]-5-methyl-thieno[2,3-d]pyrimidine-6-carboxylate CAS Name: 4-amino-2-[[(3-hydroxy-1-adamantyl)-oxomethoxy]methyl]-5-methyl-6-thieno[2,3-d]pyrimidinecarboxylic acid ethyl ester IUPAC Name: ethyl 4-amino-2-[(3-hydroxyadamantane-1-carbonyl)oxymethyl]-5-methylthieno[2,3-d]pyrimidine-6-carboxylate Traditional Name: 4-amino-2-[(3-hydroxyadamantane-1-carbonyl)oxymethyl]-5-methyl-thieno[2,3-d]pyrimidine-6-carboxylic acid ethyl ester Formula: C22H27N3O5S MolecularWeight: 445.53188

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(C2=C(N=C(N=C2S1)COC(=O)C34CC5CC(C3)CC(C5)(C4)O)N)C

Isomeric SMILES

CCOC(=O)C1=C(C2=C(N=C(N=C2S1)COC(=O)C34CC5CC(C3)CC(C5)(C4)O)N)C

InChI

InChI=1S/C22H27N3O5S/c1-3-29-19(26)16-11(2)15-17(23)24-14(25-18(15)31-16)9-30-20(27)21-5-12-4-13(6-21)8-22(28,7-12)10-21/h12-13,28H,3-10H2,1-2H3,(H2,23,24,25)