ethyl 2-(2-adamantylcarbonyloxymethyl)-4-azanyl-5-methyl-thieno[2,3-d]pyrimidine-6-carboxylate

Systemtic Name: ethyl 2-(2-adamantylcarbonyloxymethyl)-4-azanyl-5-methyl-thieno[2,3-d]pyrimidine-6-carboxylate Openeye Name: ethyl 2-(adamantane-2-carbonyloxymethyl)-4-amino-5-methyl-thieno[2,3-d]pyrimidine-6-carboxylate CAS Name: 2-[[2-adamantyl(oxo)methoxy]methyl]-4-amino-5-methyl-6-thieno[2,3-d]pyrimidinecarboxylic acid ethyl ester IUPAC Name: ethyl 2-(adamantane-2-carbonyloxymethyl)-4-amino-5-methylthieno[2,3-d]pyrimidine-6-carboxylate Traditional Name: 2-(adamantane-2-carbonyloxymethyl)-4-amino-5-methyl-thieno[2,3-d]pyrimidine-6-carboxylic acid ethyl ester Formula: C22H27N3O4S MolecularWeight: 429.53248

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(C2=C(N=C(N=C2S1)COC(=O)C3C4CC5CC(C4)CC3C5)N)C

Isomeric SMILES

CCOC(=O)C1=C(C2=C(N=C(N=C2S1)COC(=O)C3C4CC5CC(C4)CC3C5)N)C

InChI

InChI=1S/C22H27N3O4S/c1-3-28-22(27)18-10(2)16-19(23)24-15(25-20(16)30-18)9-29-21(26)17-13-5-11-4-12(7-13)8-14(17)6-11/h11-14,17H,3-9H2,1-2H3,(H2,23,24,25)