phenyl N-[5-(6-chloranylpurin-9-yl)pentyl]carbamate

Systemtic Name: phenyl N-[5-(6-chloranylpurin-9-yl)pentyl]carbamate Openeye Name: phenyl N-[5-(6-chloropurin-9-yl)pentyl]carbamate CAS Name: N-[5-(6-chloro-9-purinyl)pentyl]carbamic acid phenyl ester IUPAC Name: phenyl N-[5-(6-chloropurin-9-yl)pentyl]carbamate Traditional Name: N-[5-(6-chloropurin-9-yl)pentyl]carbamic acid phenyl ester Formula: C17H18ClN5O2 MolecularWeight: 359.81012

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)OC(=O)NCCCCCN2C=NC3=C2N=CN=C3Cl

Isomeric SMILES

C1=CC=C(C=C1)OC(=O)NCCCCCN2C=NC3=C2N=CN=C3Cl

InChI

InChI=1S/C17H18ClN5O2/c18-15-14-16(21-11-20-15)23(12-22-14)10-6-2-5-9-19-17(24)25-13-7-3-1-4-8-13/h1,3-4,7-8,11-12H,2,5-6,9-10H2,(H,19,24)