ethyl 4-azanyl-2-[2-[1-[4-(2-methylpropyl)phenyl]ethylamino]-2-oxidanylidene-ethyl]sulfanyl-pyrimidine-5-carboxylate

Systemtic Name: ethyl 4-azanyl-2-[2-[1-[4-(2-methylpropyl)phenyl]ethylamino]-2-oxidanylidene-ethyl]sulfanyl-pyrimidine-5-carboxylate Openeye Name: ethyl 4-amino-2-[2-[1-(4-isobutylphenyl)ethylamino]-2-oxo-ethyl]sulfanyl-pyrimidine-5-carboxylate CAS Name: 4-amino-2-[[2-[1-[4-(2-methylpropyl)phenyl]ethylamino]-2-oxoethyl]thio]-5-pyrimidinecarboxylic acid ethyl ester IUPAC Name: ethyl 4-amino-2-[2-[1-[4-(2-methylpropyl)phenyl]ethylamino]-2-oxoethyl]sulfanylpyrimidine-5-carboxylate Traditional Name: 4-amino-2-[[2-[1-(4-isobutylphenyl)ethylamino]-2-keto-ethyl]thio]pyrimidine-5-carboxylic acid ethyl ester Formula: C21H28N4O3S MolecularWeight: 416.53702

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CN=C(N=C1N)SCC(=O)NC(C)C2=CC=C(C=C2)CC(C)C

Isomeric SMILES

CCOC(=O)C1=CN=C(N=C1N)SCC(=O)NC(C)C2=CC=C(C=C2)CC(C)C

InChI

InChI=1S/C21H28N4O3S/c1-5-28-20(27)17-11-23-21(25-19(17)22)29-12-18(26)24-14(4)16-8-6-15(7-9-16)10-13(2)3/h6-9,11,13-14H,5,10,12H2,1-4H3,(H,24,26)(H2,22,23,25)