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

Systemtic Name: ethyl 5-methyl-4-oxidanylidene-2-[(1S)-1-(4-phenylpiperazin-1-yl)ethyl]-3H-thieno[2,3-d]pyrimidine-6-carboxylate Openeye Name: ethyl 5-methyl-4-oxo-2-[(1S)-1-(4-phenylpiperazin-1-yl)ethyl]-3H-thieno[2,3-d]pyrimidine-6-carboxylate CAS Name: 5-methyl-4-oxo-2-[(1S)-1-(4-phenyl-1-piperazinyl)ethyl]-3H-thieno[2,3-d]pyrimidine-6-carboxylic acid ethyl ester IUPAC Name: ethyl 5-methyl-4-oxo-2-[(1S)-1-(4-phenylpiperazin-1-yl)ethyl]-3H-thieno[2,3-d]pyrimidine-6-carboxylate Traditional Name: 4-keto-5-methyl-2-[(1S)-1-(4-phenylpiperazino)ethyl]-3H-thieno[2,3-d]pyrimidine-6-carboxylic acid ethyl ester Formula: C22H26N4O3S MolecularWeight: 426.53184

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(C2=C(S1)N=C(NC2=O)C(C)N3CCN(CC3)C4=CC=CC=C4)C

Isomeric SMILES

CCOC(=O)C1=C(C2=C(S1)N=C(NC2=O)[C@H](C)N3CCN(CC3)C4=CC=CC=C4)C

InChI

InChI=1S/C22H26N4O3S/c1-4-29-22(28)18-14(2)17-20(27)23-19(24-21(17)30-18)15(3)25-10-12-26(13-11-25)16-8-6-5-7-9-16/h5-9,15H,4,10-13H2,1-3H3,(H,23,24,27)/t15-/m0/s1