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

Systemtic Name: 4-[2-(1-adamantylamino)-2-oxidanylidene-ethyl]sulfanyl-5-methyl-2-(4-methylphenyl)thieno[2,3-d]pyrimidine-6-carboxylate Openeye Name: 4-[2-(1-adamantylamino)-2-oxo-ethyl]sulfanyl-5-methyl-2-(p-tolyl)thieno[2,3-d]pyrimidine-6-carboxylate CAS Name: 4-[[2-(1-adamantylamino)-2-oxoethyl]thio]-5-methyl-2-(4-methylphenyl)-6-thieno[2,3-d]pyrimidinecarboxylate IUPAC Name: 4-[2-(1-adamantylamino)-2-oxoethyl]sulfanyl-5-methyl-2-(4-methylphenyl)thieno[2,3-d]pyrimidine-6-carboxylate Traditional Name: 4-[[2-(1-adamantylamino)-2-keto-ethyl]thio]-5-methyl-2-(p-tolyl)thieno[2,3-d]pyrimidine-6-carboxylate Formula: C27H28N3O3S2- MolecularWeight: 506.65952

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C2=NC3=C(C(=C(S3)C(=O)[O-])C)C(=N2)SCC(=O)NC45CC6CC(C4)CC(C6)C5

Isomeric SMILES

CC1=CC=C(C=C1)C2=NC3=C(C(=C(S3)C(=O)[O-])C)C(=N2)SCC(=O)NC45CC6CC(C4)CC(C6)C5

InChI

InChI=1S/C27H29N3O3S2/c1-14-3-5-19(6-4-14)23-28-24(21-15(2)22(26(32)33)35-25(21)29-23)34-13-20(31)30-27-10-16-7-17(11-27)9-18(8-16)12-27/h3-6,16-18H,7-13H2,1-2H3,(H,30,31)(H,32,33)/p-1