methyl 4-[(5-phenyl-2-pyridin-3-yl-thieno[2,3-d]pyrimidin-4-yl)amino]butanoate

Systemtic Name: methyl 4-[(5-phenyl-2-pyridin-3-yl-thieno[2,3-d]pyrimidin-4-yl)amino]butanoate Openeye Name: methyl 4-[[5-phenyl-2-(3-pyridyl)thieno[2,3-d]pyrimidin-4-yl]amino]butanoate CAS Name: 4-[[5-phenyl-2-(3-pyridinyl)-4-thieno[2,3-d]pyrimidinyl]amino]butanoic acid methyl ester IUPAC Name: methyl 4-[(5-phenyl-2-pyridin-3-ylthieno[2,3-d]pyrimidin-4-yl)amino]butanoate Traditional Name: 4-[[5-phenyl-2-(3-pyridyl)thieno[2,3-d]pyrimidin-4-yl]amino]butyric acid methyl ester Formula: C22H20N4O2S MolecularWeight: 404.4848

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)CCCNC1=C2C(=CSC2=NC(=N1)C3=CN=CC=C3)C4=CC=CC=C4

Isomeric SMILES

COC(=O)CCCNC1=C2C(=CSC2=NC(=N1)C3=CN=CC=C3)C4=CC=CC=C4

InChI

InChI=1S/C22H20N4O2S/c1-28-18(27)10-6-12-24-21-19-17(15-7-3-2-4-8-15)14-29-22(19)26-20(25-21)16-9-5-11-23-13-16/h2-5,7-9,11,13-14H,6,10,12H2,1H3,(H,24,25,26)