8-chloranyl-1,3-diethyl-7-(phenylmethyl)purine-2,6-dione

Systemtic Name: 8-chloranyl-1,3-diethyl-7-(phenylmethyl)purine-2,6-dione Openeye Name: 7-benzyl-8-chloro-1,3-diethyl-purine-2,6-dione CAS Name: 8-chloro-1,3-diethyl-7-(phenylmethyl)purine-2,6-dione IUPAC Name: 7-benzyl-8-chloro-1,3-diethylpurine-2,6-dione Traditional Name: 7-benzyl-8-chloro-1,3-diethyl-xanthine Formula: C16H17ClN4O2 MolecularWeight: 332.78478

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C2=C(C(=O)N(C1=O)CC)N(C(=N2)Cl)CC3=CC=CC=C3

Isomeric SMILES

CCN1C2=C(C(=O)N(C1=O)CC)N(C(=N2)Cl)CC3=CC=CC=C3

InChI

InChI=1S/C16H17ClN4O2/c1-3-19-13-12(14(22)20(4-2)16(19)23)21(15(17)18-13)10-11-8-6-5-7-9-11/h5-9H,3-4,10H2,1-2H3