1-phenyl-3-(1,2,3-thiadiazol-5-yl)urea; 7H-purin-6-amine

Systemtic Name: 1-phenyl-3-(1,2,3-thiadiazol-5-yl)urea; 7H-purin-6-amine Openeye Name: 1-phenyl-3-(thiadiazol-5-yl)urea; 7H-purin-6-amine CAS Name: 1-phenyl-3-(5-thiadiazolyl)urea; 7H-purin-6-amine IUPAC Name: 1-phenyl-3-(thiadiazol-5-yl)urea; 7H-purin-6-amine Traditional Name: 7H-adenine; 1-phenyl-3-(thiadiazol-5-yl)urea Formula: C14H13N9OS MolecularWeight: 355.37772

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)NC(=O)NC2=CN=NS2.C1=NC2=C(N1)C(=NC=N2)N

Isomeric SMILES

C1=CC=C(C=C1)NC(=O)NC2=CN=NS2.C1=NC2=C(N1)C(=NC=N2)N

InChI

InChI=1S/C9H8N4OS.C5H5N5/c14-9(12-8-6-10-13-15-8)11-7-4-2-1-3-5-7;6-4-3-5(9-1-7-3)10-2-8-4/h1-6H,(H2,11,12,14);1-2H,(H3,6,7,8,9,10)