1-butyl-3-[(2-butylsulfanyl-4-oxidanylidene-1H-pyrimidin-6-yl)carbonylamino]thiourea

Systemtic Name: 1-butyl-3-[(2-butylsulfanyl-4-oxidanylidene-1H-pyrimidin-6-yl)carbonylamino]thiourea Openeye Name: 1-butyl-3-[(2-butylsulfanyl-4-oxo-1H-pyrimidine-6-carbonyl)amino]thiourea CAS Name: 1-butyl-3-[[[2-(butylthio)-4-oxo-1H-pyrimidin-6-yl]-oxomethyl]amino]thiourea IUPAC Name: 1-butyl-3-[(2-butylsulfanyl-4-oxo-1H-pyrimidine-6-carbonyl)amino]thiourea Traditional Name: 1-butyl-3-[[2-(butylthio)-4-keto-1H-pyrimidine-6-carbonyl]amino]thiourea Formula: C14H23N5O2S2 MolecularWeight: 357.49472

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCNC(=S)NNC(=O)C1=CC(=O)N=C(N1)SCCCC

Isomeric SMILES

CCCCNC(=S)NNC(=O)C1=CC(=O)N=C(N1)SCCCC

InChI

InChI=1S/C14H23N5O2S2/c1-3-5-7-15-13(22)19-18-12(21)10-9-11(20)17-14(16-10)23-8-6-4-2/h9H,3-8H2,1-2H3,(H,18,21)(H2,15,19,22)(H,16,17,20)