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

Systemtic Name: 4-[2-(1H-indol-3-yl)ethylamino]-2-methylsulfanyl-pyrimidine-5-carboxylate Openeye Name: 4-[2-(1H-indol-3-yl)ethylamino]-2-methylsulfanyl-pyrimidine-5-carboxylate CAS Name: 4-[2-(1H-indol-3-yl)ethylamino]-2-(methylthio)-5-pyrimidinecarboxylate IUPAC Name: 4-[2-(1H-indol-3-yl)ethylamino]-2-methylsulfanylpyrimidine-5-carboxylate Traditional Name: 4-[2-(1H-indol-3-yl)ethylamino]-2-(methylthio)pyrimidine-5-carboxylate Formula: C16H15N4O2S- MolecularWeight: 327.3809

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Descriptors Computed from Structure

Canonical SMILES:

CSC1=NC=C(C(=N1)NCCC2=CNC3=CC=CC=C32)C(=O)[O-]

Isomeric SMILES

CSC1=NC=C(C(=N1)NCCC2=CNC3=CC=CC=C32)C(=O)[O-]

InChI

InChI=1S/C16H16N4O2S/c1-23-16-19-9-12(15(21)22)14(20-16)17-7-6-10-8-18-13-5-3-2-4-11(10)13/h2-5,8-9,18H,6-7H2,1H3,(H,21,22)(H,17,19,20)/p-1