ethyl 2-[2-(hydroxymethyl)pyrrolidin-1-yl]-4-phenylsulfanyl-pyrimidine-5-carboxylate

Systemtic Name: ethyl 2-[2-(hydroxymethyl)pyrrolidin-1-yl]-4-phenylsulfanyl-pyrimidine-5-carboxylate Openeye Name: ethyl 2-[2-(hydroxymethyl)pyrrolidin-1-yl]-4-phenylsulfanyl-pyrimidine-5-carboxylate CAS Name: 2-[2-(hydroxymethyl)-1-pyrrolidinyl]-4-(phenylthio)-5-pyrimidinecarboxylic acid ethyl ester IUPAC Name: ethyl 2-[2-(hydroxymethyl)pyrrolidin-1-yl]-4-phenylsulfanylpyrimidine-5-carboxylate Traditional Name: 2-(2-methylolpyrrolidino)-4-(phenylthio)pyrimidine-5-carboxylic acid ethyl ester Formula: C18H21N3O3S MolecularWeight: 359.44264

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CN=C(N=C1SC2=CC=CC=C2)N3CCCC3CO

Isomeric SMILES

CCOC(=O)C1=CN=C(N=C1SC2=CC=CC=C2)N3CCCC3CO

InChI

InChI=1S/C18H21N3O3S/c1-2-24-17(23)15-11-19-18(21-10-6-7-13(21)12-22)20-16(15)25-14-8-4-3-5-9-14/h3-5,8-9,11,13,22H,2,6-7,10,12H2,1H3