ethyl 4-azanyl-2-[2-(2,3-dihydroindol-1-yl)-2-oxidanylidene-ethyl]sulfanyl-pyrimidine-5-carboxylate

Systemtic Name: ethyl 4-azanyl-2-[2-(2,3-dihydroindol-1-yl)-2-oxidanylidene-ethyl]sulfanyl-pyrimidine-5-carboxylate Openeye Name: ethyl 4-amino-2-(2-indolin-1-yl-2-oxo-ethyl)sulfanyl-pyrimidine-5-carboxylate CAS Name: 4-amino-2-[[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]thio]-5-pyrimidinecarboxylic acid ethyl ester IUPAC Name: ethyl 4-amino-2-[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]sulfanylpyrimidine-5-carboxylate Traditional Name: 4-amino-2-[(2-indolin-1-yl-2-keto-ethyl)thio]pyrimidine-5-carboxylic acid ethyl ester Formula: C17H18N4O3S MolecularWeight: 358.41482

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CN=C(N=C1N)SCC(=O)N2CCC3=CC=CC=C32

Isomeric SMILES

CCOC(=O)C1=CN=C(N=C1N)SCC(=O)N2CCC3=CC=CC=C32

InChI

InChI=1S/C17H18N4O3S/c1-2-24-16(23)12-9-19-17(20-15(12)18)25-10-14(22)21-8-7-11-5-3-4-6-13(11)21/h3-6,9H,2,7-8,10H2,1H3,(H2,18,19,20)