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6-azanyl-2-phenacylsulfanyl-7H-purine-8-carbonitrile

6-azanyl-2-phenacylsulfanyl-7H-purine-8-carbonitrile

Systemtic Name:6-azanyl-2-phenacylsulfanyl-7H-purine-8-carbonitrile
Openeye Name:6-amino-2-phenacylsulfanyl-7H-purine-8-carbonitrile
CAS Name:6-amino-2-(phenacylthio)-7H-purine-8-carbonitrile
IUPAC Name:6-amino-2-phenacylsulfanyl-7H-purine-8-carbonitrile
Traditional Name:6-amino-2-(phenacylthio)-7H-purine-8-carbonitrile
Formula: C14H10N6OS
MolecularWeight: 310.3338
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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C(=O)CSC2=NC3=C(C(=N2)N)NC(=N3)C#N


Isomeric SMILES

C1=CC=C(C=C1)C(=O)CSC2=NC3=C(C(=N2)N)NC(=N3)C#N


InChI

InChI=1S/C14H10N6OS/c15-6-10-17-11-12(16)19-14(20-13(11)18-10)22-7-9(21)8-4-2-1-3-5-8/h1-5H,7H2,(H3,16,17,18,19,20)


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