ethyl 5-methyl-2-(phenylmethyl)-4-(4-phenylpiperazin-1-yl)thieno[2,3-d]pyrimidine-6-carboxylate

Systemtic Name: ethyl 5-methyl-2-(phenylmethyl)-4-(4-phenylpiperazin-1-yl)thieno[2,3-d]pyrimidine-6-carboxylate Openeye Name: ethyl 2-benzyl-5-methyl-4-(4-phenylpiperazin-1-yl)thieno[2,3-d]pyrimidine-6-carboxylate CAS Name: 5-methyl-2-(phenylmethyl)-4-(4-phenyl-1-piperazinyl)-6-thieno[2,3-d]pyrimidinecarboxylic acid ethyl ester IUPAC Name: ethyl 2-benzyl-5-methyl-4-(4-phenylpiperazin-1-yl)thieno[2,3-d]pyrimidine-6-carboxylate Traditional Name: 2-benzyl-5-methyl-4-(4-phenylpiperazino)thieno[2,3-d]pyrimidine-6-carboxylic acid ethyl ester Formula: C27H28N4O2S MolecularWeight: 472.60182

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(C2=C(N=C(N=C2S1)CC3=CC=CC=C3)N4CCN(CC4)C5=CC=CC=C5)C

Isomeric SMILES

CCOC(=O)C1=C(C2=C(N=C(N=C2S1)CC3=CC=CC=C3)N4CCN(CC4)C5=CC=CC=C5)C

InChI

InChI=1S/C27H28N4O2S/c1-3-33-27(32)24-19(2)23-25(31-16-14-30(15-17-31)21-12-8-5-9-13-21)28-22(29-26(23)34-24)18-20-10-6-4-7-11-20/h4-13H,3,14-18H2,1-2H3