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

Systemtic Name: ethyl 6-[[5-(ethylamino)-1,3,4-thiadiazol-2-yl]sulfanylmethyl]-2-oxidanylidene-4-phenyl-3,4-dihydro-1H-pyrimidine-5-carboxylate Openeye Name: ethyl 6-[[5-(ethylamino)-1,3,4-thiadiazol-2-yl]sulfanylmethyl]-2-oxo-4-phenyl-3,4-dihydro-1H-pyrimidine-5-carboxylate CAS Name: 6-[[[5-(ethylamino)-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-(ethylamino)-1,3,4-thiadiazol-2-yl]sulfanylmethyl]-2-oxo-4-phenyl-3,4-dihydro-1H-pyrimidine-5-carboxylate Traditional Name: 6-[[[5-(ethylamino)-1,3,4-thiadiazol-2-yl]thio]methyl]-2-keto-4-phenyl-3,4-dihydro-1H-pyrimidine-5-carboxylic acid ethyl ester Formula: C18H21N5O3S2 MolecularWeight: 419.52104

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Descriptors Computed from Structure

Canonical SMILES:

CCNC1=NN=C(S1)SCC2=C(C(NC(=O)N2)C3=CC=CC=C3)C(=O)OCC

Isomeric SMILES

CCNC1=NN=C(S1)SCC2=C(C(NC(=O)N2)C3=CC=CC=C3)C(=O)OCC

InChI

InChI=1S/C18H21N5O3S2/c1-3-19-17-22-23-18(28-17)27-10-12-13(15(24)26-4-2)14(21-16(25)20-12)11-8-6-5-7-9-11/h5-9,14H,3-4,10H2,1-2H3,(H,19,22)(H2,20,21,25)