ethyl 6-[[5-(furan-2-ylmethylamino)-1,3,4-thiadiazol-2-yl]sulfanylmethyl]-2-oxidanylidene-4-phenyl-3,4-dihydro-1H-pyrimidine-5-carboxylate

Systemtic Name: ethyl 6-[[5-(furan-2-ylmethylamino)-1,3,4-thiadiazol-2-yl]sulfanylmethyl]-2-oxidanylidene-4-phenyl-3,4-dihydro-1H-pyrimidine-5-carboxylate Openeye Name: ethyl 6-[[5-(2-furylmethylamino)-1,3,4-thiadiazol-2-yl]sulfanylmethyl]-2-oxo-4-phenyl-3,4-dihydro-1H-pyrimidine-5-carboxylate CAS Name: 6-[[[5-(2-furanylmethylamino)-1,3,4-thiadiazol-2-yl]thio]methyl]-2-oxo-4-phenyl-3,4-dihydro-1H-pyrimidine-5-carboxylic acid ethyl ester IUPAC Name: ethyl 6-[[5-(furan-2-ylmethylamino)-1,3,4-thiadiazol-2-yl]sulfanylmethyl]-2-oxo-4-phenyl-3,4-dihydro-1H-pyrimidine-5-carboxylate Traditional Name: 6-[[[5-(2-furfurylamino)-1,3,4-thiadiazol-2-yl]thio]methyl]-2-keto-4-phenyl-3,4-dihydro-1H-pyrimidine-5-carboxylic acid ethyl ester Formula: C21H21N5O4S2 MolecularWeight: 471.55254

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(NC(=O)NC1C2=CC=CC=C2)CSC3=NN=C(S3)NCC4=CC=CO4

Isomeric SMILES

CCOC(=O)C1=C(NC(=O)NC1C2=CC=CC=C2)CSC3=NN=C(S3)NCC4=CC=CO4

InChI

InChI=1S/C21H21N5O4S2/c1-2-29-18(27)16-15(23-19(28)24-17(16)13-7-4-3-5-8-13)12-31-21-26-25-20(32-21)22-11-14-9-6-10-30-14/h3-10,17H,2,11-12H2,1H3,(H,22,25)(H2,23,24,28)