1-[(E)-2-[(2-azanyl-6-oxidanylidene-3H-purin-9-yl)methoxy]ethylideneamino]thiourea

Systemtic Name: 1-[(E)-2-[(2-azanyl-6-oxidanylidene-3H-purin-9-yl)methoxy]ethylideneamino]thiourea Openeye Name: [(E)-2-[(2-amino-6-oxo-3H-purin-9-yl)methoxy]ethylideneamino]thiourea CAS Name: [(E)-2-[(2-amino-6-oxo-3H-purin-9-yl)methoxy]ethylideneamino]thiourea IUPAC Name: [(E)-2-[(2-amino-6-oxo-3H-purin-9-yl)methoxy]ethylideneamino]thiourea Traditional Name: [(E)-2-[(2-amino-6-keto-3H-purin-9-yl)methoxy]ethylideneamino]thiourea Formula: C9H12N8O2S MolecularWeight: 296.30898

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Descriptors Computed from Structure

Canonical SMILES:

C1=NC2=C(N1COCC=NNC(=S)N)NC(=NC2=O)N

Isomeric SMILES

C1=NC2=C(N1COC/C=N/NC(=S)N)NC(=NC2=O)N

InChI

InChI=1S/C9H12N8O2S/c10-8-14-6-5(7(18)15-8)12-3-17(6)4-19-2-1-13-16-9(11)20/h1,3H,2,4H2,(H3,11,16,20)(H3,10,14,15,18)/b13-1+