1-[(E)-1-(5H-purin-6-ylsulfanyl)propan-2-ylideneamino]thiourea

Systemtic Name: 1-[(E)-1-(5H-purin-6-ylsulfanyl)propan-2-ylideneamino]thiourea Openeye Name: [(E)-[1-methyl-2-(5H-purin-6-ylsulfanyl)ethylidene]amino]thiourea CAS Name: [(E)-1-(5H-purin-6-ylthio)propan-2-ylideneamino]thiourea IUPAC Name: [(E)-1-(5H-purin-6-ylsulfanyl)propan-2-ylideneamino]thiourea Traditional Name: [(E)-[1-methyl-2-(5H-purin-6-ylthio)ethylidene]amino]thiourea Formula: C9H11N7S2 MolecularWeight: 281.36054

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Descriptors Computed from Structure

Canonical SMILES:

CC(=NNC(=S)N)CSC1=NC=NC2=NC=NC21

Isomeric SMILES

C/C(=N\NC(=S)N)/CSC1=NC=NC2=NC=NC21

InChI

InChI=1S/C9H11N7S2/c1-5(15-16-9(10)17)2-18-8-6-7(12-3-11-6)13-4-14-8/h3-4,6H,2H2,1H3,(H3,10,16,17)/b15-5+