ethyl 6-[4-[(2-ethoxy-2-oxidanylidene-ethyl)carbamoylamino]phenyl]-3-ethyl-4-methyl-2-sulfanylidene-1,6-dihydropyrimidine-5-carboxylate

Systemtic Name: ethyl 6-[4-[(2-ethoxy-2-oxidanylidene-ethyl)carbamoylamino]phenyl]-3-ethyl-4-methyl-2-sulfanylidene-1,6-dihydropyrimidine-5-carboxylate Openeye Name: ethyl 6-[4-[(2-ethoxy-2-oxo-ethyl)carbamoylamino]phenyl]-3-ethyl-4-methyl-2-thioxo-1,6-dihydropyrimidine-5-carboxylate CAS Name: 6-[4-[[[(2-ethoxy-2-oxoethyl)amino]-oxomethyl]amino]phenyl]-3-ethyl-4-methyl-2-sulfanylidene-1,6-dihydropyrimidine-5-carboxylic acid ethyl ester IUPAC Name: ethyl 6-[4-[(2-ethoxy-2-oxoethyl)carbamoylamino]phenyl]-3-ethyl-4-methyl-2-sulfanylidene-1,6-dihydropyrimidine-5-carboxylate Traditional Name: 6-[4-[(2-ethoxy-2-keto-ethyl)carbamoylamino]phenyl]-3-ethyl-4-methyl-2-thioxo-1,6-dihydropyrimidine-5-carboxylic acid ethyl ester Formula: C21H28N4O5S MolecularWeight: 448.53582

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C(=C(C(NC1=S)C2=CC=C(C=C2)NC(=O)NCC(=O)OCC)C(=O)OCC)C

Isomeric SMILES

CCN1C(=C(C(NC1=S)C2=CC=C(C=C2)NC(=O)NCC(=O)OCC)C(=O)OCC)C

InChI

InChI=1S/C21H28N4O5S/c1-5-25-13(4)17(19(27)30-7-3)18(24-21(25)31)14-8-10-15(11-9-14)23-20(28)22-12-16(26)29-6-2/h8-11,18H,5-7,12H2,1-4H3,(H,24,31)(H2,22,23,28)