(1E)-1-(7H-purin-6-ylmethylidene)thiourea

Systemtic Name: (1E)-1-(7H-purin-6-ylmethylidene)thiourea Openeye Name: (E)-7H-purin-6-ylmethylenethiourea CAS Name: (E)-7H-purin-6-ylmethylidenethiourea IUPAC Name: (E)-7H-purin-6-ylmethylidenethiourea Traditional Name: (E)-7H-purin-6-ylmethylenethiourea Formula: C7H6N6S MolecularWeight: 206.22774

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Descriptors Computed from Structure

Canonical SMILES:

C1=NC2=NC=NC(=C2N1)C=NC(=S)N

Isomeric SMILES

C1=NC2=NC=NC(=C2N1)/C=N/C(=S)N

InChI

InChI=1S/C7H6N6S/c8-7(14)9-1-4-5-6(12-2-10-4)13-3-11-5/h1-3H,(H2,8,14)(H,10,11,12,13)/b9-1+