ethyl 4-methyl-2-[2-(6-pyrrolidin-1-ylpyrimidin-4-yl)sulfanylethanoylamino]-1,3-thiazole-5-carboxylate

Systemtic Name: ethyl 4-methyl-2-[2-(6-pyrrolidin-1-ylpyrimidin-4-yl)sulfanylethanoylamino]-1,3-thiazole-5-carboxylate Openeye Name: ethyl 4-methyl-2-[[2-(6-pyrrolidin-1-ylpyrimidin-4-yl)sulfanylacetyl]amino]thiazole-5-carboxylate CAS Name: 4-methyl-2-[[1-oxo-2-[[6-(1-pyrrolidinyl)-4-pyrimidinyl]thio]ethyl]amino]-5-thiazolecarboxylic acid ethyl ester IUPAC Name: ethyl 4-methyl-2-[[2-(6-pyrrolidin-1-ylpyrimidin-4-yl)sulfanylacetyl]amino]-1,3-thiazole-5-carboxylate Traditional Name: 4-methyl-2-[[2-[(6-pyrrolidinopyrimidin-4-yl)thio]acetyl]amino]thiazole-5-carboxylic acid ethyl ester Formula: C17H21N5O3S2 MolecularWeight: 407.51034

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(N=C(S1)NC(=O)CSC2=NC=NC(=C2)N3CCCC3)C

Isomeric SMILES

CCOC(=O)C1=C(N=C(S1)NC(=O)CSC2=NC=NC(=C2)N3CCCC3)C

InChI

InChI=1S/C17H21N5O3S2/c1-3-25-16(24)15-11(2)20-17(27-15)21-13(23)9-26-14-8-12(18-10-19-14)22-6-4-5-7-22/h8,10H,3-7,9H2,1-2H3,(H,20,21,23)