N-(2-chloroethyl)-N-(7H-purin-6-yl)carbamate

Systemtic Name: N-(2-chloroethyl)-N-(7H-purin-6-yl)carbamate Openeye Name: N-(2-chloroethyl)-N-(7H-purin-6-yl)carbamate CAS Name: N-(2-chloroethyl)-N-(7H-purin-6-yl)carbamate IUPAC Name: N-(2-chloroethyl)-N-(7H-purin-6-yl)carbamate Traditional Name: N-(2-chloroethyl)-N-(7H-purin-6-yl)carbamate Formula: C8H7ClN5O2- MolecularWeight: 240.62648

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Descriptors Computed from Structure

Canonical SMILES:

C1=NC2=C(N1)C(=NC=N2)N(CCCl)C(=O)[O-]

Isomeric SMILES

C1=NC2=C(N1)C(=NC=N2)N(CCCl)C(=O)[O-]

InChI

InChI=1S/C8H8ClN5O2/c9-1-2-14(8(15)16)7-5-6(11-3-10-5)12-4-13-7/h3-4H,1-2H2,(H,15,16)(H,10,11,12,13)/p-1