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

Systemtic Name: ethyl 2-[(5-methyl-4-piperidin-1-yl-thieno[2,3-d]pyrimidin-6-yl)carbonylamino]benzoate Openeye Name: ethyl 2-[[5-methyl-4-(1-piperidyl)thieno[2,3-d]pyrimidine-6-carbonyl]amino]benzoate CAS Name: 2-[[[5-methyl-4-(1-piperidinyl)-6-thieno[2,3-d]pyrimidinyl]-oxomethyl]amino]benzoic acid ethyl ester IUPAC Name: ethyl 2-[(5-methyl-4-piperidin-1-ylthieno[2,3-d]pyrimidine-6-carbonyl)amino]benzoate Traditional Name: 2-[(5-methyl-4-piperidino-thieno[2,3-d]pyrimidine-6-carbonyl)amino]benzoic acid ethyl ester Formula: C22H24N4O3S MolecularWeight: 424.51596

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC=CC=C1NC(=O)C2=C(C3=C(N=CN=C3S2)N4CCCCC4)C

Isomeric SMILES

CCOC(=O)C1=CC=CC=C1NC(=O)C2=C(C3=C(N=CN=C3S2)N4CCCCC4)C

InChI

InChI=1S/C22H24N4O3S/c1-3-29-22(28)15-9-5-6-10-16(15)25-20(27)18-14(2)17-19(23-13-24-21(17)30-18)26-11-7-4-8-12-26/h5-6,9-10,13H,3-4,7-8,11-12H2,1-2H3,(H,25,27)