N-(5-butyl-1,3,4-thiadiazol-2-yl)-2-[[4-oxidanyl-6-oxidanylidene-5-(phenylmethyl)-1H-pyrimidin-2-yl]sulfanyl]ethanamide

Systemtic Name: N-(5-butyl-1,3,4-thiadiazol-2-yl)-2-[[4-oxidanyl-6-oxidanylidene-5-(phenylmethyl)-1H-pyrimidin-2-yl]sulfanyl]ethanamide Openeye Name: 2-[(5-benzyl-4-hydroxy-6-oxo-1H-pyrimidin-2-yl)sulfanyl]-N-(5-butyl-1,3,4-thiadiazol-2-yl)acetamide CAS Name: N-(5-butyl-1,3,4-thiadiazol-2-yl)-2-[[4-hydroxy-6-oxo-5-(phenylmethyl)-1H-pyrimidin-2-yl]thio]acetamide IUPAC Name: 2-[(5-benzyl-4-hydroxy-6-oxo-1H-pyrimidin-2-yl)sulfanyl]-N-(5-butyl-1,3,4-thiadiazol-2-yl)acetamide Traditional Name: 2-[(5-benzyl-4-hydroxy-6-keto-1H-pyrimidin-2-yl)thio]-N-(5-butyl-1,3,4-thiadiazol-2-yl)acetamide Formula: C19H21N5O3S2 MolecularWeight: 431.53174

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=NN=C(S1)NC(=O)CSC2=NC(=C(C(=O)N2)CC3=CC=CC=C3)O

Isomeric SMILES

CCCCC1=NN=C(S1)NC(=O)CSC2=NC(=C(C(=O)N2)CC3=CC=CC=C3)O

InChI

InChI=1S/C19H21N5O3S2/c1-2-3-9-15-23-24-19(29-15)20-14(25)11-28-18-21-16(26)13(17(27)22-18)10-12-7-5-4-6-8-12/h4-8H,2-3,9-11H2,1H3,(H,20,24,25)(H2,21,22,26,27)