ethyl 4-(cyclohexylamino)-5-methyl-2-(phenylmethyl)thieno[2,3-d]pyrimidine-6-carboxylate

Systemtic Name: ethyl 4-(cyclohexylamino)-5-methyl-2-(phenylmethyl)thieno[2,3-d]pyrimidine-6-carboxylate Openeye Name: ethyl 2-benzyl-4-(cyclohexylamino)-5-methyl-thieno[2,3-d]pyrimidine-6-carboxylate CAS Name: 4-(cyclohexylamino)-5-methyl-2-(phenylmethyl)-6-thieno[2,3-d]pyrimidinecarboxylic acid ethyl ester IUPAC Name: ethyl 2-benzyl-4-(cyclohexylamino)-5-methylthieno[2,3-d]pyrimidine-6-carboxylate Traditional Name: 2-benzyl-4-(cyclohexylamino)-5-methyl-thieno[2,3-d]pyrimidine-6-carboxylic acid ethyl ester Formula: C23H27N3O2S MolecularWeight: 409.54438

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(C2=C(N=C(N=C2S1)CC3=CC=CC=C3)NC4CCCCC4)C

Isomeric SMILES

CCOC(=O)C1=C(C2=C(N=C(N=C2S1)CC3=CC=CC=C3)NC4CCCCC4)C

InChI

InChI=1S/C23H27N3O2S/c1-3-28-23(27)20-15(2)19-21(24-17-12-8-5-9-13-17)25-18(26-22(19)29-20)14-16-10-6-4-7-11-16/h4,6-7,10-11,17H,3,5,8-9,12-14H2,1-2H3,(H,24,25,26)