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

Systemtic Name: ethyl 2-[(1S)-1-(2-adamantylamino)ethyl]-5-methyl-4-oxidanylidene-3H-thieno[2,3-d]pyrimidine-6-carboxylate Openeye Name: ethyl 2-[(1S)-1-(2-adamantylamino)ethyl]-5-methyl-4-oxo-3H-thieno[2,3-d]pyrimidine-6-carboxylate CAS Name: 2-[(1S)-1-(2-adamantylamino)ethyl]-5-methyl-4-oxo-3H-thieno[2,3-d]pyrimidine-6-carboxylic acid ethyl ester IUPAC Name: ethyl 2-[(1S)-1-(2-adamantylamino)ethyl]-5-methyl-4-oxo-3H-thieno[2,3-d]pyrimidine-6-carboxylate Traditional Name: 2-[(1S)-1-(2-adamantylamino)ethyl]-4-keto-5-methyl-3H-thieno[2,3-d]pyrimidine-6-carboxylic acid ethyl ester Formula: C22H29N3O3S MolecularWeight: 415.54896

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(C2=C(S1)N=C(NC2=O)C(C)NC3C4CC5CC(C4)CC3C5)C

Isomeric SMILES

CCOC(=O)C1=C(C2=C(S1)N=C(NC2=O)[C@H](C)NC3C4CC5CC(C4)CC3C5)C

InChI

InChI=1S/C22H29N3O3S/c1-4-28-22(27)18-10(2)16-20(26)24-19(25-21(16)29-18)11(3)23-17-14-6-12-5-13(8-14)9-15(17)7-12/h11-15,17,23H,4-9H2,1-3H3,(H,24,25,26)/t11-,12?,13?,14?,15?,17?/m0/s1