N-[(4-methoxyphenyl)methyl]-2-methylsulfanyl-4-pyrrolidin-1-yl-thieno[2,3-d]pyrimidine-6-carboxamide

Systemtic Name: N-[(4-methoxyphenyl)methyl]-2-methylsulfanyl-4-pyrrolidin-1-yl-thieno[2,3-d]pyrimidine-6-carboxamide Openeye Name: N-[(4-methoxyphenyl)methyl]-2-methylsulfanyl-4-pyrrolidin-1-yl-thieno[2,3-d]pyrimidine-6-carboxamide CAS Name: N-[(4-methoxyphenyl)methyl]-2-(methylthio)-4-(1-pyrrolidinyl)-6-thieno[2,3-d]pyrimidinecarboxamide IUPAC Name: N-[(4-methoxyphenyl)methyl]-2-methylsulfanyl-4-pyrrolidin-1-ylthieno[2,3-d]pyrimidine-6-carboxamide Traditional Name: 2-(methylthio)-N-p-anisyl-4-pyrrolidino-thieno[2,3-d]pyrimidine-6-carboxamide Formula: C20H22N4O2S2 MolecularWeight: 414.54428

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)CNC(=O)C2=CC3=C(N=C(N=C3S2)SC)N4CCCC4

Isomeric SMILES

COC1=CC=C(C=C1)CNC(=O)C2=CC3=C(N=C(N=C3S2)SC)N4CCCC4

InChI

InChI=1S/C20H22N4O2S2/c1-26-14-7-5-13(6-8-14)12-21-18(25)16-11-15-17(24-9-3-4-10-24)22-20(27-2)23-19(15)28-16/h5-8,11H,3-4,9-10,12H2,1-2H3,(H,21,25)