N-[(E)-(2-chlorophenyl)methylideneamino]-2-(7H-purin-6-ylsulfanyl)ethanamide

Systemtic Name: N-[(E)-(2-chlorophenyl)methylideneamino]-2-(7H-purin-6-ylsulfanyl)ethanamide Openeye Name: N-[(E)-(2-chlorophenyl)methyleneamino]-2-(7H-purin-6-ylsulfanyl)acetamide CAS Name: N-[(E)-(2-chlorophenyl)methylideneamino]-2-(7H-purin-6-ylthio)acetamide IUPAC Name: N-[(E)-(2-chlorophenyl)methylideneamino]-2-(7H-purin-6-ylsulfanyl)acetamide Traditional Name: N-[(E)-(2-chlorobenzylidene)amino]-2-(7H-purin-6-ylthio)acetamide Formula: C14H11ClN6OS MolecularWeight: 346.79474

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C(=C1)C=NNC(=O)CSC2=NC=NC3=C2NC=N3)Cl

Isomeric SMILES

C1=CC=C(C(=C1)/C=N/NC(=O)CSC2=NC=NC3=C2NC=N3)Cl

InChI

InChI=1S/C14H11ClN6OS/c15-10-4-2-1-3-9(10)5-20-21-11(22)6-23-14-12-13(17-7-16-12)18-8-19-14/h1-5,7-8H,6H2,(H,21,22)(H,16,17,18,19)/b20-5+