5-azanyl-2-methylsulfanyl-4-phenyl-1-(phenylmethyl)-7aH-thieno[2,3-d]pyrimidine-6-carboxamide

Systemtic Name: 5-azanyl-2-methylsulfanyl-4-phenyl-1-(phenylmethyl)-7aH-thieno[2,3-d]pyrimidine-6-carboxamide Openeye Name: 5-amino-1-benzyl-2-methylsulfanyl-4-phenyl-7aH-thieno[2,3-d]pyrimidine-6-carboxamide CAS Name: 5-amino-2-(methylthio)-4-phenyl-1-(phenylmethyl)-7aH-thieno[2,3-d]pyrimidine-6-carboxamide IUPAC Name: 5-amino-1-benzyl-2-methylsulfanyl-4-phenyl-7aH-thieno[2,3-d]pyrimidine-6-carboxamide Traditional Name: 5-amino-1-benzyl-2-(methylthio)-4-phenyl-7aH-thieno[2,3-d]pyrimidine-6-carboxamide Formula: C21H20N4OS2 MolecularWeight: 408.5397

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Descriptors Computed from Structure

Canonical SMILES:

CSC1=NC(=C2C(N1CC3=CC=CC=C3)SC(=C2N)C(=O)N)C4=CC=CC=C4

Isomeric SMILES

CSC1=NC(=C2C(N1CC3=CC=CC=C3)SC(=C2N)C(=O)N)C4=CC=CC=C4

InChI

InChI=1S/C21H20N4OS2/c1-27-21-24-17(14-10-6-3-7-11-14)15-16(22)18(19(23)26)28-20(15)25(21)12-13-8-4-2-5-9-13/h2-11,20H,12,22H2,1H3,(H2,23,26)