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

Systemtic Name: 1-butyl-3-[(2-ethylsulfanyl-4-oxidanylidene-1H-pyrimidin-6-yl)carbonylamino]thiourea Openeye Name: 1-butyl-3-[(2-ethylsulfanyl-4-oxo-1H-pyrimidine-6-carbonyl)amino]thiourea CAS Name: 1-butyl-3-[[[2-(ethylthio)-4-oxo-1H-pyrimidin-6-yl]-oxomethyl]amino]thiourea IUPAC Name: 1-butyl-3-[(2-ethylsulfanyl-4-oxo-1H-pyrimidine-6-carbonyl)amino]thiourea Traditional Name: 1-butyl-3-[[2-(ethylthio)-4-keto-1H-pyrimidine-6-carbonyl]amino]thiourea Formula: C12H19N5O2S2 MolecularWeight: 329.44156

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C12H19N5O2S2/c1-3-5-6-13-11(20)17-16-10(19)8-7-9(18)15-12(14-8)21-4-2/h7H,3-6H2,1-2H3,(H,16,19)(H2,13,17,20)(H,14,15,18)