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

Systemtic Name: ethyl 2-[[5-methyl-4-(4-methylpiperazin-1-yl)thieno[2,3-d]pyrimidin-6-yl]carbonylamino]benzoate Openeye Name: ethyl 2-[[5-methyl-4-(4-methylpiperazin-1-yl)thieno[2,3-d]pyrimidine-6-carbonyl]amino]benzoate CAS Name: 2-[[[5-methyl-4-(4-methyl-1-piperazinyl)-6-thieno[2,3-d]pyrimidinyl]-oxomethyl]amino]benzoic acid ethyl ester IUPAC Name: ethyl 2-[[5-methyl-4-(4-methylpiperazin-1-yl)thieno[2,3-d]pyrimidine-6-carbonyl]amino]benzoate Traditional Name: 2-[[5-methyl-4-(4-methylpiperazino)thieno[2,3-d]pyrimidine-6-carbonyl]amino]benzoic acid ethyl ester Formula: C22H25N5O3S MolecularWeight: 439.5306

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC=CC=C1NC(=O)C2=C(C3=C(N=CN=C3S2)N4CCN(CC4)C)C

Isomeric SMILES

CCOC(=O)C1=CC=CC=C1NC(=O)C2=C(C3=C(N=CN=C3S2)N4CCN(CC4)C)C

InChI

InChI=1S/C22H25N5O3S/c1-4-30-22(29)15-7-5-6-8-16(15)25-20(28)18-14(2)17-19(23-13-24-21(17)31-18)27-11-9-26(3)10-12-27/h5-8,13H,4,9-12H2,1-3H3,(H,25,28)