2-chloranyl-7-(phenylmethyl)-1-propyl-purin-6-one

Systemtic Name: 2-chloranyl-7-(phenylmethyl)-1-propyl-purin-6-one Openeye Name: 7-benzyl-2-chloro-1-propyl-purin-6-one CAS Name: 2-chloro-7-(phenylmethyl)-1-propyl-6-purinone IUPAC Name: 7-benzyl-2-chloro-1-propylpurin-6-one Traditional Name: 7-benzyl-2-chloro-1-propyl-purin-6-one Formula: C15H15ClN4O MolecularWeight: 302.7588

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Descriptors Computed from Structure

Canonical SMILES:

CCCN1C(=O)C2=C(N=CN2CC3=CC=CC=C3)N=C1Cl

Isomeric SMILES

CCCN1C(=O)C2=C(N=CN2CC3=CC=CC=C3)N=C1Cl

InChI

InChI=1S/C15H15ClN4O/c1-2-8-20-14(21)12-13(18-15(20)16)17-10-19(12)9-11-6-4-3-5-7-11/h3-7,10H,2,8-9H2,1H3