ethyl 1-(phenylmethyl)-4-pyrrolidin-1-yl-6-sulfanylidene-pyrimidine-5-carboxylate

Systemtic Name: ethyl 1-(phenylmethyl)-4-pyrrolidin-1-yl-6-sulfanylidene-pyrimidine-5-carboxylate Openeye Name: ethyl 1-benzyl-4-pyrrolidin-1-yl-6-thioxo-pyrimidine-5-carboxylate CAS Name: 1-(phenylmethyl)-4-(1-pyrrolidinyl)-6-sulfanylidene-5-pyrimidinecarboxylic acid ethyl ester IUPAC Name: ethyl 1-benzyl-4-pyrrolidin-1-yl-6-sulfanylidenepyrimidine-5-carboxylate Traditional Name: 1-benzyl-4-pyrrolidino-6-thioxo-pyrimidine-5-carboxylic acid ethyl ester Formula: C18H21N3O2S MolecularWeight: 343.44324

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(N=CN(C1=S)CC2=CC=CC=C2)N3CCCC3

Isomeric SMILES

CCOC(=O)C1=C(N=CN(C1=S)CC2=CC=CC=C2)N3CCCC3

InChI

InChI=1S/C18H21N3O2S/c1-2-23-18(22)15-16(20-10-6-7-11-20)19-13-21(17(15)24)12-14-8-4-3-5-9-14/h3-5,8-9,13H,2,6-7,10-12H2,1H3