[2-(1-adamantylmethylamino)-2-oxidanylidene-ethyl] 5-methyl-2-(methylsulfanylmethyl)-4-oxidanylidene-3H-thieno[2,3-d]pyrimidine-6-carboxylate

Systemtic Name: [2-(1-adamantylmethylamino)-2-oxidanylidene-ethyl] 5-methyl-2-(methylsulfanylmethyl)-4-oxidanylidene-3H-thieno[2,3-d]pyrimidine-6-carboxylate Openeye Name: [2-(1-adamantylmethylamino)-2-oxo-ethyl] 5-methyl-2-(methylsulfanylmethyl)-4-oxo-3H-thieno[2,3-d]pyrimidine-6-carboxylate CAS Name: 5-methyl-2-[(methylthio)methyl]-4-oxo-3H-thieno[2,3-d]pyrimidine-6-carboxylic acid [2-(1-adamantylmethylamino)-2-oxoethyl] ester IUPAC Name: [2-(1-adamantylmethylamino)-2-oxoethyl] 5-methyl-2-(methylsulfanylmethyl)-4-oxo-3H-thieno[2,3-d]pyrimidine-6-carboxylate Traditional Name: 4-keto-5-methyl-2-[(methylthio)methyl]-3H-thieno[2,3-d]pyrimidine-6-carboxylic acid [2-(1-adamantylmethylamino)-2-keto-ethyl] ester Formula: C23H29N3O4S2 MolecularWeight: 475.62406

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC2=C1C(=O)NC(=N2)CSC)C(=O)OCC(=O)NCC34CC5CC(C3)CC(C5)C4

Isomeric SMILES

CC1=C(SC2=C1C(=O)NC(=N2)CSC)C(=O)OCC(=O)NCC34CC5CC(C3)CC(C5)C4

InChI

InChI=1S/C23H29N3O4S2/c1-12-18-20(28)25-16(10-31-2)26-21(18)32-19(12)22(29)30-9-17(27)24-11-23-6-13-3-14(7-23)5-15(4-13)8-23/h13-15H,3-11H2,1-2H3,(H,24,27)(H,25,26,28)