2-adamantylmethyl 5-azanyl-2-methylsulfanyl-4-phenyl-thieno[2,3-d]pyrimidine-6-carboxylate

Systemtic Name: 2-adamantylmethyl 5-azanyl-2-methylsulfanyl-4-phenyl-thieno[2,3-d]pyrimidine-6-carboxylate Openeye Name: 2-adamantylmethyl 5-amino-2-methylsulfanyl-4-phenyl-thieno[2,3-d]pyrimidine-6-carboxylate CAS Name: 5-amino-2-(methylthio)-4-phenyl-6-thieno[2,3-d]pyrimidinecarboxylic acid 2-adamantylmethyl ester IUPAC Name: 2-adamantylmethyl 5-amino-2-methylsulfanyl-4-phenylthieno[2,3-d]pyrimidine-6-carboxylate Traditional Name: 5-amino-2-(methylthio)-4-phenyl-thieno[2,3-d]pyrimidine-6-carboxylic acid 2-adamantylmethyl ester Formula: C25H27N3O2S2 MolecularWeight: 465.63078

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Descriptors Computed from Structure

Canonical SMILES:

CSC1=NC(=C2C(=C(SC2=N1)C(=O)OCC3C4CC5CC(C4)CC3C5)N)C6=CC=CC=C6

Isomeric SMILES

CSC1=NC(=C2C(=C(SC2=N1)C(=O)OCC3C4CC5CC(C4)CC3C5)N)C6=CC=CC=C6

InChI

InChI=1S/C25H27N3O2S2/c1-31-25-27-21(15-5-3-2-4-6-15)19-20(26)22(32-23(19)28-25)24(29)30-12-18-16-8-13-7-14(10-16)11-17(18)9-13/h2-6,13-14,16-18H,7-12,26H2,1H3