ethyl (4R)-4-[5-chloranyl-2-(2-diazanyl-2-oxidanylidene-ethoxy)phenyl]-6-methyl-2-sulfanylidene-3,4-dihydro-1H-pyrimidine-5-carboxylate

Systemtic Name: ethyl (4R)-4-[5-chloranyl-2-(2-diazanyl-2-oxidanylidene-ethoxy)phenyl]-6-methyl-2-sulfanylidene-3,4-dihydro-1H-pyrimidine-5-carboxylate Openeye Name: ethyl (4R)-4-[5-chloro-2-(2-hydrazino-2-oxo-ethoxy)phenyl]-6-methyl-2-thioxo-3,4-dihydro-1H-pyrimidine-5-carboxylate CAS Name: (4R)-4-[5-chloro-2-(2-hydrazinyl-2-oxoethoxy)phenyl]-6-methyl-2-sulfanylidene-3,4-dihydro-1H-pyrimidine-5-carboxylic acid ethyl ester IUPAC Name: ethyl (4R)-4-[5-chloro-2-(2-hydrazinyl-2-oxoethoxy)phenyl]-6-methyl-2-sulfanylidene-3,4-dihydro-1H-pyrimidine-5-carboxylate Traditional Name: (4R)-4-[5-chloro-2-(2-hydrazino-2-keto-ethoxy)phenyl]-6-methyl-2-thioxo-3,4-dihydro-1H-pyrimidine-5-carboxylic acid ethyl ester Formula: C16H19ClN4O4S MolecularWeight: 398.86446

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(NC(=S)NC1C2=C(C=CC(=C2)Cl)OCC(=O)NN)C

Isomeric SMILES

CCOC(=O)C1=C(NC(=S)N[C@@H]1C2=C(C=CC(=C2)Cl)OCC(=O)NN)C

InChI

InChI=1S/C16H19ClN4O4S/c1-3-24-15(23)13-8(2)19-16(26)20-14(13)10-6-9(17)4-5-11(10)25-7-12(22)21-18/h4-6,14H,3,7,18H2,1-2H3,(H,21,22)(H2,19,20,26)/t14-/m1/s1