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

Systemtic Name: ethyl 4-azanyl-2-[2-oxidanylidene-2-(3-phenyl-3,4-dihydropyrazol-2-yl)ethyl]sulfanyl-pyrimidine-5-carboxylate Openeye Name: ethyl 4-amino-2-[2-oxo-2-(3-phenyl-3,4-dihydropyrazol-2-yl)ethyl]sulfanyl-pyrimidine-5-carboxylate CAS Name: 4-amino-2-[[2-oxo-2-(3-phenyl-3,4-dihydropyrazol-2-yl)ethyl]thio]-5-pyrimidinecarboxylic acid ethyl ester IUPAC Name: ethyl 4-amino-2-[2-oxo-2-(3-phenyl-3,4-dihydropyrazol-2-yl)ethyl]sulfanylpyrimidine-5-carboxylate Traditional Name: 4-amino-2-[[2-keto-2-(5-phenyl-2-pyrazolin-1-yl)ethyl]thio]pyrimidine-5-carboxylic acid ethyl ester Formula: C18H19N5O3S MolecularWeight: 385.44016

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CN=C(N=C1N)SCC(=O)N2C(CC=N2)C3=CC=CC=C3

Isomeric SMILES

CCOC(=O)C1=CN=C(N=C1N)SCC(=O)N2C(CC=N2)C3=CC=CC=C3

InChI

InChI=1S/C18H19N5O3S/c1-2-26-17(25)13-10-20-18(22-16(13)19)27-11-15(24)23-14(8-9-21-23)12-6-4-3-5-7-12/h3-7,9-10,14H,2,8,11H2,1H3,(H2,19,20,22)