2-chloranyl-8-hexyl-1-methyl-7-(phenylmethyl)purin-6-one

Systemtic Name: 2-chloranyl-8-hexyl-1-methyl-7-(phenylmethyl)purin-6-one Openeye Name: 7-benzyl-2-chloro-8-hexyl-1-methyl-purin-6-one CAS Name: 2-chloro-8-hexyl-1-methyl-7-(phenylmethyl)-6-purinone IUPAC Name: 7-benzyl-2-chloro-8-hexyl-1-methylpurin-6-one Traditional Name: 7-benzyl-2-chloro-8-hexyl-1-methyl-purin-6-one Formula: C19H23ClN4O MolecularWeight: 358.86512

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCC1=NC2=C(N1CC3=CC=CC=C3)C(=O)N(C(=N2)Cl)C

Isomeric SMILES

CCCCCCC1=NC2=C(N1CC3=CC=CC=C3)C(=O)N(C(=N2)Cl)C

InChI

InChI=1S/C19H23ClN4O/c1-3-4-5-9-12-15-21-17-16(18(25)23(2)19(20)22-17)24(15)13-14-10-7-6-8-11-14/h6-8,10-11H,3-5,9,12-13H2,1-2H3