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

Systemtic Name: ethyl 6-[3-(cyclobutylcarbonylamino)phenyl]-3-ethyl-4-methyl-2-sulfanylidene-1,6-dihydropyrimidine-5-carboxylate Openeye Name: ethyl 6-[3-(cyclobutanecarbonylamino)phenyl]-3-ethyl-4-methyl-2-thioxo-1,6-dihydropyrimidine-5-carboxylate CAS Name: 6-[3-[[cyclobutyl(oxo)methyl]amino]phenyl]-3-ethyl-4-methyl-2-sulfanylidene-1,6-dihydropyrimidine-5-carboxylic acid ethyl ester IUPAC Name: ethyl 6-[3-(cyclobutanecarbonylamino)phenyl]-3-ethyl-4-methyl-2-sulfanylidene-1,6-dihydropyrimidine-5-carboxylate Traditional Name: 6-[3-(cyclobutanecarbonylamino)phenyl]-3-ethyl-4-methyl-2-thioxo-1,6-dihydropyrimidine-5-carboxylic acid ethyl ester Formula: C21H27N3O3S MolecularWeight: 401.52238

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C(=C(C(NC1=S)C2=CC(=CC=C2)NC(=O)C3CCC3)C(=O)OCC)C

Isomeric SMILES

CCN1C(=C(C(NC1=S)C2=CC(=CC=C2)NC(=O)C3CCC3)C(=O)OCC)C

InChI

InChI=1S/C21H27N3O3S/c1-4-24-13(3)17(20(26)27-5-2)18(23-21(24)28)15-10-7-11-16(12-15)22-19(25)14-8-6-9-14/h7,10-12,14,18H,4-6,8-9H2,1-3H3,(H,22,25)(H,23,28)