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

Systemtic Name: 5-azanyl-4-(phenylmethylsulfanyl)-2-pyrrolidin-1-yl-thieno[2,3-d]pyrimidine-6-carboxamide Openeye Name: 5-amino-4-benzylsulfanyl-2-pyrrolidin-1-yl-thieno[2,3-d]pyrimidine-6-carboxamide CAS Name: 5-amino-4-(phenylmethylthio)-2-(1-pyrrolidinyl)-6-thieno[2,3-d]pyrimidinecarboxamide IUPAC Name: 5-amino-4-benzylsulfanyl-2-pyrrolidin-1-ylthieno[2,3-d]pyrimidine-6-carboxamide Traditional Name: 5-amino-4-(benzylthio)-2-pyrrolidino-thieno[2,3-d]pyrimidine-6-carboxamide Formula: C18H19N5OS2 MolecularWeight: 385.50636

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C1)C2=NC3=C(C(=C(S3)C(=O)N)N)C(=N2)SCC4=CC=CC=C4

Isomeric SMILES

C1CCN(C1)C2=NC3=C(C(=C(S3)C(=O)N)N)C(=N2)SCC4=CC=CC=C4

InChI

InChI=1S/C18H19N5OS2/c19-13-12-16(25-10-11-6-2-1-3-7-11)21-18(23-8-4-5-9-23)22-17(12)26-14(13)15(20)24/h1-3,6-7H,4-5,8-10,19H2,(H2,20,24)