(2S)-2-[(6-azanyl-4-oxidanylidene-1H-pyrimidin-2-yl)sulfanyl]-N-(5-propyl-1,3,4-thiadiazol-2-yl)butanamide

Systemtic Name: (2S)-2-[(6-azanyl-4-oxidanylidene-1H-pyrimidin-2-yl)sulfanyl]-N-(5-propyl-1,3,4-thiadiazol-2-yl)butanamide Openeye Name: (2S)-2-[(6-amino-4-oxo-1H-pyrimidin-2-yl)sulfanyl]-N-(5-propyl-1,3,4-thiadiazol-2-yl)butanamide CAS Name: (2S)-2-[(6-amino-4-oxo-1H-pyrimidin-2-yl)thio]-N-(5-propyl-1,3,4-thiadiazol-2-yl)butanamide IUPAC Name: (2S)-2-[(6-amino-4-oxo-1H-pyrimidin-2-yl)sulfanyl]-N-(5-propyl-1,3,4-thiadiazol-2-yl)butanamide Traditional Name: (2S)-2-[(6-amino-4-keto-1H-pyrimidin-2-yl)thio]-N-(5-propyl-1,3,4-thiadiazol-2-yl)butyramide Formula: C13H18N6O2S2 MolecularWeight: 354.45102

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=NN=C(S1)NC(=O)C(CC)SC2=NC(=O)C=C(N2)N

Isomeric SMILES

CCCC1=NN=C(S1)NC(=O)[C@H](CC)SC2=NC(=O)C=C(N2)N

InChI

InChI=1S/C13H18N6O2S2/c1-3-5-10-18-19-13(23-10)17-11(21)7(4-2)22-12-15-8(14)6-9(20)16-12/h6-7H,3-5H2,1-2H3,(H,17,19,21)(H3,14,15,16,20)/t7-/m0/s1