ethyl 4-azanyl-2-[2-[2-(3,4-diethoxyphenyl)ethylamino]-2-oxidanylidene-ethyl]sulfanyl-pyrimidine-5-carboxylate

Systemtic Name: ethyl 4-azanyl-2-[2-[2-(3,4-diethoxyphenyl)ethylamino]-2-oxidanylidene-ethyl]sulfanyl-pyrimidine-5-carboxylate Openeye Name: ethyl 4-amino-2-[2-[2-(3,4-diethoxyphenyl)ethylamino]-2-oxo-ethyl]sulfanyl-pyrimidine-5-carboxylate CAS Name: 4-amino-2-[[2-[2-(3,4-diethoxyphenyl)ethylamino]-2-oxoethyl]thio]-5-pyrimidinecarboxylic acid ethyl ester IUPAC Name: ethyl 4-amino-2-[2-[2-(3,4-diethoxyphenyl)ethylamino]-2-oxoethyl]sulfanylpyrimidine-5-carboxylate Traditional Name: 4-amino-2-[[2-[2-(3,4-diethoxyphenyl)ethylamino]-2-keto-ethyl]thio]pyrimidine-5-carboxylic acid ethyl ester Formula: C21H28N4O5S MolecularWeight: 448.53582

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=C(C=C1)CCNC(=O)CSC2=NC=C(C(=N2)N)C(=O)OCC)OCC

Isomeric SMILES

CCOC1=C(C=C(C=C1)CCNC(=O)CSC2=NC=C(C(=N2)N)C(=O)OCC)OCC

InChI

InChI=1S/C21H28N4O5S/c1-4-28-16-8-7-14(11-17(16)29-5-2)9-10-23-18(26)13-31-21-24-12-15(19(22)25-21)20(27)30-6-3/h7-8,11-12H,4-6,9-10,13H2,1-3H3,(H,23,26)(H2,22,24,25)