2-methylpropyl 6-[4-(furan-2-ylcarbonylamino)phenyl]-3,4-dimethyl-2-sulfanylidene-1,6-dihydropyrimidine-5-carboxylate

Systemtic Name: 2-methylpropyl 6-[4-(furan-2-ylcarbonylamino)phenyl]-3,4-dimethyl-2-sulfanylidene-1,6-dihydropyrimidine-5-carboxylate Openeye Name: isobutyl 6-[4-(furan-2-carbonylamino)phenyl]-3,4-dimethyl-2-thioxo-1,6-dihydropyrimidine-5-carboxylate CAS Name: 6-[4-[[2-furanyl(oxo)methyl]amino]phenyl]-3,4-dimethyl-2-sulfanylidene-1,6-dihydropyrimidine-5-carboxylic acid 2-methylpropyl ester IUPAC Name: 2-methylpropyl 6-[4-(furan-2-carbonylamino)phenyl]-3,4-dimethyl-2-sulfanylidene-1,6-dihydropyrimidine-5-carboxylate Traditional Name: 6-[4-(2-furoylamino)phenyl]-3,4-dimethyl-2-thioxo-1,6-dihydropyrimidine-5-carboxylic acid isobutyl ester Formula: C22H25N3O4S MolecularWeight: 427.5166

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(NC(=S)N1C)C2=CC=C(C=C2)NC(=O)C3=CC=CO3)C(=O)OCC(C)C

Isomeric SMILES

CC1=C(C(NC(=S)N1C)C2=CC=C(C=C2)NC(=O)C3=CC=CO3)C(=O)OCC(C)C

InChI

InChI=1S/C22H25N3O4S/c1-13(2)12-29-21(27)18-14(3)25(4)22(30)24-19(18)15-7-9-16(10-8-15)23-20(26)17-6-5-11-28-17/h5-11,13,19H,12H2,1-4H3,(H,23,26)(H,24,30)