ethyl 4-azanyl-2-[2-[4-(hexanoylamino)phenyl]-2-oxidanylidene-ethyl]sulfanyl-pyrimidine-5-carboxylate

Systemtic Name: ethyl 4-azanyl-2-[2-[4-(hexanoylamino)phenyl]-2-oxidanylidene-ethyl]sulfanyl-pyrimidine-5-carboxylate Openeye Name: ethyl 4-amino-2-[2-[4-(hexanoylamino)phenyl]-2-oxo-ethyl]sulfanyl-pyrimidine-5-carboxylate CAS Name: 4-amino-2-[[2-oxo-2-[4-(1-oxohexylamino)phenyl]ethyl]thio]-5-pyrimidinecarboxylic acid ethyl ester IUPAC Name: ethyl 4-amino-2-[2-[4-(hexanoylamino)phenyl]-2-oxoethyl]sulfanylpyrimidine-5-carboxylate Traditional Name: 4-amino-2-[[2-[4-(caproylamino)phenyl]-2-keto-ethyl]thio]pyrimidine-5-carboxylic acid ethyl ester Formula: C21H26N4O4S MolecularWeight: 430.52054

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCC(=O)NC1=CC=C(C=C1)C(=O)CSC2=NC=C(C(=N2)N)C(=O)OCC

Isomeric SMILES

CCCCCC(=O)NC1=CC=C(C=C1)C(=O)CSC2=NC=C(C(=N2)N)C(=O)OCC

InChI

InChI=1S/C21H26N4O4S/c1-3-5-6-7-18(27)24-15-10-8-14(9-11-15)17(26)13-30-21-23-12-16(19(22)25-21)20(28)29-4-2/h8-12H,3-7,13H2,1-2H3,(H,24,27)(H2,22,23,25)