ethyl 2-[[5-methyl-4-(4-phenylpiperazin-1-yl)thieno[2,3-d]pyrimidin-6-yl]carbonylamino]ethanoate

Systemtic Name: ethyl 2-[[5-methyl-4-(4-phenylpiperazin-1-yl)thieno[2,3-d]pyrimidin-6-yl]carbonylamino]ethanoate Openeye Name: ethyl 2-[[5-methyl-4-(4-phenylpiperazin-1-yl)thieno[2,3-d]pyrimidine-6-carbonyl]amino]acetate CAS Name: 2-[[[5-methyl-4-(4-phenyl-1-piperazinyl)-6-thieno[2,3-d]pyrimidinyl]-oxomethyl]amino]acetic acid ethyl ester IUPAC Name: ethyl 2-[[5-methyl-4-(4-phenylpiperazin-1-yl)thieno[2,3-d]pyrimidine-6-carbonyl]amino]acetate Traditional Name: 2-[[5-methyl-4-(4-phenylpiperazino)thieno[2,3-d]pyrimidine-6-carbonyl]amino]acetic acid ethyl ester Formula: C22H25N5O3S MolecularWeight: 439.5306

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CNC(=O)C1=C(C2=C(N=CN=C2S1)N3CCN(CC3)C4=CC=CC=C4)C

Isomeric SMILES

CCOC(=O)CNC(=O)C1=C(C2=C(N=CN=C2S1)N3CCN(CC3)C4=CC=CC=C4)C

InChI

InChI=1S/C22H25N5O3S/c1-3-30-17(28)13-23-21(29)19-15(2)18-20(24-14-25-22(18)31-19)27-11-9-26(10-12-27)16-7-5-4-6-8-16/h4-8,14H,3,9-13H2,1-2H3,(H,23,29)