5-azanyl-4-[3-[2-(azetidin-1-yl)ethanoylamino]phenyl]-2-methylsulfanyl-thieno[2,3-d]pyrimidine-6-carboxamide

Systemtic Name: 5-azanyl-4-[3-[2-(azetidin-1-yl)ethanoylamino]phenyl]-2-methylsulfanyl-thieno[2,3-d]pyrimidine-6-carboxamide Openeye Name: 5-amino-4-[3-[[2-(azetidin-1-yl)acetyl]amino]phenyl]-2-methylsulfanyl-thieno[2,3-d]pyrimidine-6-carboxamide CAS Name: 5-amino-4-[3-[[2-(1-azetidinyl)-1-oxoethyl]amino]phenyl]-2-(methylthio)-6-thieno[2,3-d]pyrimidinecarboxamide IUPAC Name: 5-amino-4-[3-[[2-(azetidin-1-yl)acetyl]amino]phenyl]-2-methylsulfanylthieno[2,3-d]pyrimidine-6-carboxamide Traditional Name: 5-amino-4-[3-[[2-(azetidin-1-yl)acetyl]amino]phenyl]-2-(methylthio)thieno[2,3-d]pyrimidine-6-carboxamide Formula: C19H20N6O2S2 MolecularWeight: 428.5311

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Descriptors Computed from Structure

Canonical SMILES:

CSC1=NC(=C2C(=C(SC2=N1)C(=O)N)N)C3=CC(=CC=C3)NC(=O)CN4CCC4

Isomeric SMILES

CSC1=NC(=C2C(=C(SC2=N1)C(=O)N)N)C3=CC(=CC=C3)NC(=O)CN4CCC4

InChI

InChI=1S/C19H20N6O2S2/c1-28-19-23-15(13-14(20)16(17(21)27)29-18(13)24-19)10-4-2-5-11(8-10)22-12(26)9-25-6-3-7-25/h2,4-5,8H,3,6-7,9,20H2,1H3,(H2,21,27)(H,22,26)