5-azanyl-4-(phenylmethylsulfanyl)-2-piperidin-1-yl-thieno[2,3-d]pyrimidine-6-carboxamide

Systemtic Name: 5-azanyl-4-(phenylmethylsulfanyl)-2-piperidin-1-yl-thieno[2,3-d]pyrimidine-6-carboxamide Openeye Name: 5-amino-4-benzylsulfanyl-2-(1-piperidyl)thieno[2,3-d]pyrimidine-6-carboxamide CAS Name: 5-amino-4-(phenylmethylthio)-2-(1-piperidinyl)-6-thieno[2,3-d]pyrimidinecarboxamide IUPAC Name: 5-amino-4-benzylsulfanyl-2-piperidin-1-ylthieno[2,3-d]pyrimidine-6-carboxamide Traditional Name: 5-amino-4-(benzylthio)-2-piperidino-thieno[2,3-d]pyrimidine-6-carboxamide Formula: C19H21N5OS2 MolecularWeight: 399.53294

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(CC1)C2=NC3=C(C(=C(S3)C(=O)N)N)C(=N2)SCC4=CC=CC=C4

Isomeric SMILES

C1CCN(CC1)C2=NC3=C(C(=C(S3)C(=O)N)N)C(=N2)SCC4=CC=CC=C4

InChI

InChI=1S/C19H21N5OS2/c20-14-13-17(26-11-12-7-3-1-4-8-12)22-19(24-9-5-2-6-10-24)23-18(13)27-15(14)16(21)25/h1,3-4,7-8H,2,5-6,9-11,20H2,(H2,21,25)