N-[(E)-1-(4-nitrophenyl)ethylideneamino]-2-(7H-purin-6-ylsulfanyl)ethanamide

Systemtic Name: N-[(E)-1-(4-nitrophenyl)ethylideneamino]-2-(7H-purin-6-ylsulfanyl)ethanamide Openeye Name: N-[(E)-1-(4-nitrophenyl)ethylideneamino]-2-(7H-purin-6-ylsulfanyl)acetamide CAS Name: N-[(E)-1-(4-nitrophenyl)ethylideneamino]-2-(7H-purin-6-ylthio)acetamide IUPAC Name: N-[(E)-1-(4-nitrophenyl)ethylideneamino]-2-(7H-purin-6-ylsulfanyl)acetamide Traditional Name: N-[(E)-1-(4-nitrophenyl)ethylideneamino]-2-(7H-purin-6-ylthio)acetamide Formula: C15H13N7O3S MolecularWeight: 371.37382

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Descriptors Computed from Structure

Canonical SMILES:

CC(=NNC(=O)CSC1=NC=NC2=C1NC=N2)C3=CC=C(C=C3)[N+](=O)[O-]

Isomeric SMILES

C/C(=N\NC(=O)CSC1=NC=NC2=C1NC=N2)/C3=CC=C(C=C3)[N+](=O)[O-]

InChI

InChI=1S/C15H13N7O3S/c1-9(10-2-4-11(5-3-10)22(24)25)20-21-12(23)6-26-15-13-14(17-7-16-13)18-8-19-15/h2-5,7-8H,6H2,1H3,(H,21,23)(H,16,17,18,19)/b20-9+