ethyl 4-[2-(1H-indol-3-yl)ethylamino]-2-methylsulfanyl-pyrimidine-5-carboxylate

Systemtic Name: ethyl 4-[2-(1H-indol-3-yl)ethylamino]-2-methylsulfanyl-pyrimidine-5-carboxylate Openeye Name: ethyl 4-[2-(1H-indol-3-yl)ethylamino]-2-methylsulfanyl-pyrimidine-5-carboxylate CAS Name: 4-[2-(1H-indol-3-yl)ethylamino]-2-(methylthio)-5-pyrimidinecarboxylic acid ethyl ester IUPAC Name: ethyl 4-[2-(1H-indol-3-yl)ethylamino]-2-methylsulfanylpyrimidine-5-carboxylate Traditional Name: 4-[2-(1H-indol-3-yl)ethylamino]-2-(methylthio)pyrimidine-5-carboxylic acid ethyl ester Formula: C18H20N4O2S MolecularWeight: 356.442

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CN=C(N=C1NCCC2=CNC3=CC=CC=C32)SC

Isomeric SMILES

CCOC(=O)C1=CN=C(N=C1NCCC2=CNC3=CC=CC=C32)SC

InChI

InChI=1S/C18H20N4O2S/c1-3-24-17(23)14-11-21-18(25-2)22-16(14)19-9-8-12-10-20-15-7-5-4-6-13(12)15/h4-7,10-11,20H,3,8-9H2,1-2H3,(H,19,21,22)