2-[2-(hydroxymethyl)pyrrolidin-1-yl]-4-phenylsulfanyl-pyrimidine-5-carboxylic acid

Systemtic Name: 2-[2-(hydroxymethyl)pyrrolidin-1-yl]-4-phenylsulfanyl-pyrimidine-5-carboxylic acid Openeye Name: 2-[2-(hydroxymethyl)pyrrolidin-1-yl]-4-phenylsulfanyl-pyrimidine-5-carboxylic acid CAS Name: 2-[2-(hydroxymethyl)-1-pyrrolidinyl]-4-(phenylthio)-5-pyrimidinecarboxylic acid IUPAC Name: 2-[2-(hydroxymethyl)pyrrolidin-1-yl]-4-phenylsulfanylpyrimidine-5-carboxylic acid Traditional Name: 2-(2-methylolpyrrolidino)-4-(phenylthio)pyrimidine-5-carboxylic acid Formula: C16H17N3O3S MolecularWeight: 331.38948

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(N(C1)C2=NC=C(C(=N2)SC3=CC=CC=C3)C(=O)O)CO

Isomeric SMILES

C1CC(N(C1)C2=NC=C(C(=N2)SC3=CC=CC=C3)C(=O)O)CO

InChI

InChI=1S/C16H17N3O3S/c20-10-11-5-4-8-19(11)16-17-9-13(15(21)22)14(18-16)23-12-6-2-1-3-7-12/h1-3,6-7,9,11,20H,4-5,8,10H2,(H,21,22)