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

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

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=NN=C(S1)NC(=O)C(C)SC2=NC(=O)C=C(N2)N

Isomeric SMILES

CCCCC1=NN=C(S1)NC(=O)C(C)SC2=NC(=O)C=C(N2)N

InChI

InChI=1S/C13H18N6O2S2/c1-3-4-5-10-18-19-13(23-10)17-11(21)7(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)