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

Systemtic Name: 2-chloranyl-1-methyl-7-(phenylmethyl)-8-propyl-purin-6-one Openeye Name: 7-benzyl-2-chloro-1-methyl-8-propyl-purin-6-one CAS Name: 2-chloro-1-methyl-7-(phenylmethyl)-8-propyl-6-purinone IUPAC Name: 7-benzyl-2-chloro-1-methyl-8-propylpurin-6-one Traditional Name: 7-benzyl-2-chloro-1-methyl-8-propyl-purin-6-one Formula: C16H17ClN4O MolecularWeight: 316.78538

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=NC2=C(N1CC3=CC=CC=C3)C(=O)N(C(=N2)Cl)C

Isomeric SMILES

CCCC1=NC2=C(N1CC3=CC=CC=C3)C(=O)N(C(=N2)Cl)C

InChI

InChI=1S/C16H17ClN4O/c1-3-7-12-18-14-13(15(22)20(2)16(17)19-14)21(12)10-11-8-5-4-6-9-11/h4-6,8-9H,3,7,10H2,1-2H3