N-(2-hydroxyethyl)-4-(phenylmethylsulfanyl)-2-thiophen-2-yl-pyrimidine-5-carboxamide

Systemtic Name: N-(2-hydroxyethyl)-4-(phenylmethylsulfanyl)-2-thiophen-2-yl-pyrimidine-5-carboxamide Openeye Name: 4-benzylsulfanyl-N-(2-hydroxyethyl)-2-(2-thienyl)pyrimidine-5-carboxamide CAS Name: N-(2-hydroxyethyl)-4-(phenylmethylthio)-2-thiophen-2-yl-5-pyrimidinecarboxamide IUPAC Name: 4-benzylsulfanyl-N-(2-hydroxyethyl)-2-thiophen-2-ylpyrimidine-5-carboxamide Traditional Name: 4-(benzylthio)-N-(2-hydroxyethyl)-2-(2-thienyl)pyrimidine-5-carboxamide Formula: C18H17N3O2S2 MolecularWeight: 371.47648

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CSC2=NC(=NC=C2C(=O)NCCO)C3=CC=CS3

Isomeric SMILES

C1=CC=C(C=C1)CSC2=NC(=NC=C2C(=O)NCCO)C3=CC=CS3

InChI

InChI=1S/C18H17N3O2S2/c22-9-8-19-17(23)14-11-20-16(15-7-4-10-24-15)21-18(14)25-12-13-5-2-1-3-6-13/h1-7,10-11,22H,8-9,12H2,(H,19,23)