methyl 4-[(5-butylsulfanyl-1,3,4-thiadiazol-2-yl)sulfanylmethyl]-3-cyclopropyl-2-oxidanylidene-6-phenyl-1,6-dihydropyrimidine-5-carboxylate

Systemtic Name: methyl 4-[(5-butylsulfanyl-1,3,4-thiadiazol-2-yl)sulfanylmethyl]-3-cyclopropyl-2-oxidanylidene-6-phenyl-1,6-dihydropyrimidine-5-carboxylate Openeye Name: methyl 4-[(5-butylsulfanyl-1,3,4-thiadiazol-2-yl)sulfanylmethyl]-3-cyclopropyl-2-oxo-6-phenyl-1,6-dihydropyrimidine-5-carboxylate CAS Name: 4-[[[5-(butylthio)-1,3,4-thiadiazol-2-yl]thio]methyl]-3-cyclopropyl-2-oxo-6-phenyl-1,6-dihydropyrimidine-5-carboxylic acid methyl ester IUPAC Name: methyl 4-[(5-butylsulfanyl-1,3,4-thiadiazol-2-yl)sulfanylmethyl]-3-cyclopropyl-2-oxo-6-phenyl-1,6-dihydropyrimidine-5-carboxylate Traditional Name: 4-[[[5-(butylthio)-1,3,4-thiadiazol-2-yl]thio]methyl]-3-cyclopropyl-2-keto-6-phenyl-1,6-dihydropyrimidine-5-carboxylic acid methyl ester Formula: C22H26N4O3S3 MolecularWeight: 490.66184

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Descriptors Computed from Structure

Canonical SMILES:

CCCCSC1=NN=C(S1)SCC2=C(C(NC(=O)N2C3CC3)C4=CC=CC=C4)C(=O)OC

Isomeric SMILES

CCCCSC1=NN=C(S1)SCC2=C(C(NC(=O)N2C3CC3)C4=CC=CC=C4)C(=O)OC

InChI

InChI=1S/C22H26N4O3S3/c1-3-4-12-30-21-24-25-22(32-21)31-13-16-17(19(27)29-2)18(14-8-6-5-7-9-14)23-20(28)26(16)15-10-11-15/h5-9,15,18H,3-4,10-13H2,1-2H3,(H,23,28)