1-(1-adamantyl)-3-[(5-chloranyl-2-methylsulfanyl-pyrimidin-4-yl)carbonylamino]thiourea

Systemtic Name: 1-(1-adamantyl)-3-[(5-chloranyl-2-methylsulfanyl-pyrimidin-4-yl)carbonylamino]thiourea Openeye Name: 1-(1-adamantyl)-3-[(5-chloro-2-methylsulfanyl-pyrimidine-4-carbonyl)amino]thiourea CAS Name: 1-(1-adamantyl)-3-[[[5-chloro-2-(methylthio)-4-pyrimidinyl]-oxomethyl]amino]thiourea IUPAC Name: 1-(1-adamantyl)-3-[(5-chloro-2-methylsulfanylpyrimidine-4-carbonyl)amino]thiourea Traditional Name: 1-(1-adamantyl)-3-[[5-chloro-2-(methylthio)pyrimidine-4-carbonyl]amino]thiourea Formula: C17H22ClN5OS2 MolecularWeight: 411.97248

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Descriptors Computed from Structure

Canonical SMILES:

CSC1=NC=C(C(=N1)C(=O)NNC(=S)NC23CC4CC(C2)CC(C4)C3)Cl

Isomeric SMILES

CSC1=NC=C(C(=N1)C(=O)NNC(=S)NC23CC4CC(C2)CC(C4)C3)Cl

InChI

InChI=1S/C17H22ClN5OS2/c1-26-16-19-8-12(18)13(20-16)14(24)22-23-15(25)21-17-5-9-2-10(6-17)4-11(3-9)7-17/h8-11H,2-7H2,1H3,(H,22,24)(H2,21,23,25)