(1Z)-N-(6-chloranyl-7H-purin-2-yl)methanimidate; tetrabutylazanium

Systemtic Name: (1Z)-N-(6-chloranyl-7H-purin-2-yl)methanimidate; tetrabutylazanium Openeye Name: (1Z)-N-(6-chloro-7H-purin-2-yl)methanimidate; tetrabutylammonium CAS Name: (1Z)-N-(6-chloro-7H-purin-2-yl)methanimidate; tetrabutylammonium IUPAC Name: (1Z)-N-(6-chloro-7H-purin-2-yl)methanimidate; tetrabutylazanium Traditional Name: (1Z)-N-(6-chloro-7H-purin-2-yl)formimidate; tetrabutylammonium Formula: C22H39ClN6O MolecularWeight: 439.03766

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Descriptors Computed from Structure

Canonical SMILES:

CCCC[N+](CCCC)(CCCC)CCCC.C1=NC2=C(N1)C(=NC(=N2)N=C[O-])Cl

Isomeric SMILES

CCCC[N+](CCCC)(CCCC)CCCC.C1=NC2=C(N1)C(=NC(=N2)/N=C\[O-])Cl

InChI

InChI=1S/C16H36N.C6H4ClN5O/c1-5-9-13-17(14-10-6-2,15-11-7-3)16-12-8-4;7-4-3-5(9-1-8-3)12-6(11-4)10-2-13/h5-16H2,1-4H3;1-2H,(H2,8,9,10,11,12,13)/q+1;/p-1