ethyl 4-azanyl-2-[2-oxidanylidene-2-[(2-propan-2-ylpyrazol-3-yl)amino]ethyl]sulfanyl-pyrimidine-5-carboxylate

Systemtic Name: ethyl 4-azanyl-2-[2-oxidanylidene-2-[(2-propan-2-ylpyrazol-3-yl)amino]ethyl]sulfanyl-pyrimidine-5-carboxylate Openeye Name: ethyl 4-amino-2-[2-[(2-isopropylpyrazol-3-yl)amino]-2-oxo-ethyl]sulfanyl-pyrimidine-5-carboxylate CAS Name: 4-amino-2-[[2-oxo-2-[(2-propan-2-yl-3-pyrazolyl)amino]ethyl]thio]-5-pyrimidinecarboxylic acid ethyl ester IUPAC Name: ethyl 4-amino-2-[2-oxo-2-[(2-propan-2-ylpyrazol-3-yl)amino]ethyl]sulfanylpyrimidine-5-carboxylate Traditional Name: 4-amino-2-[[2-[(2-isopropylpyrazol-3-yl)amino]-2-keto-ethyl]thio]pyrimidine-5-carboxylic acid ethyl ester Formula: C15H20N6O3S MolecularWeight: 364.4227

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CN=C(N=C1N)SCC(=O)NC2=CC=NN2C(C)C

Isomeric SMILES

CCOC(=O)C1=CN=C(N=C1N)SCC(=O)NC2=CC=NN2C(C)C

InChI

InChI=1S/C15H20N6O3S/c1-4-24-14(23)10-7-17-15(20-13(10)16)25-8-12(22)19-11-5-6-18-21(11)9(2)3/h5-7,9H,4,8H2,1-3H3,(H,19,22)(H2,16,17,20)