(4-azanyl-5,6-dimethyl-thieno[2,3-d]pyrimidin-2-yl)methyl (5S,7R)-3-oxidanyladamantane-1-carboxylate

Systemtic Name: (4-azanyl-5,6-dimethyl-thieno[2,3-d]pyrimidin-2-yl)methyl (5S,7R)-3-oxidanyladamantane-1-carboxylate Openeye Name: (4-amino-5,6-dimethyl-thieno[2,3-d]pyrimidin-2-yl)methyl (5S,7R)-3-hydroxyadamantane-1-carboxylate CAS Name: (5S,7R)-3-hydroxy-1-adamantanecarboxylic acid (4-amino-5,6-dimethyl-2-thieno[2,3-d]pyrimidinyl)methyl ester IUPAC Name: (4-amino-5,6-dimethylthieno[2,3-d]pyrimidin-2-yl)methyl (5S,7R)-3-hydroxyadamantane-1-carboxylate Traditional Name: (5S,7R)-3-hydroxyadamantane-1-carboxylic acid (4-amino-5,6-dimethyl-thieno[2,3-d]pyrimidin-2-yl)methyl ester Formula: C20H25N3O3S MolecularWeight: 387.4958

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC2=NC(=NC(=C12)N)COC(=O)C34CC5CC(C3)CC(C5)(C4)O)C

Isomeric SMILES

CC1=C(SC2=NC(=NC(=C12)N)COC(=O)C34C[C@H]5C[C@@H](C3)CC(C5)(C4)O)C

InChI

InChI=1S/C20H25N3O3S/c1-10-11(2)27-17-15(10)16(21)22-14(23-17)8-26-18(24)19-4-12-3-13(5-19)7-20(25,6-12)9-19/h12-13,25H,3-9H2,1-2H3,(H2,21,22,23)/t12-,13+,19?,20?