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

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

Systemtic Name:8-chloranyl-1,3-bis(1-phenylethyl)-7-(phenylmethyl)purine-2,6-dione
Openeye Name:7-benzyl-8-chloro-1,3-bis(1-phenylethyl)purine-2,6-dione
CAS Name:8-chloro-1,3-bis(1-phenylethyl)-7-(phenylmethyl)purine-2,6-dione
IUPAC Name:7-benzyl-8-chloro-1,3-bis(1-phenylethyl)purine-2,6-dione
Traditional Name:7-benzyl-8-chloro-1,3-bis(1-phenylethyl)xanthine
Formula: C28H25ClN4O2
MolecularWeight: 484.9767
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Descriptors Computed from Structure

Canonical SMILES:

CC(C1=CC=CC=C1)N2C3=C(C(=O)N(C2=O)C(C)C4=CC=CC=C4)N(C(=N3)Cl)CC5=CC=CC=C5


Isomeric SMILES

CC(C1=CC=CC=C1)N2C3=C(C(=O)N(C2=O)C(C)C4=CC=CC=C4)N(C(=N3)Cl)CC5=CC=CC=C5


InChI

InChI=1S/C28H25ClN4O2/c1-19(22-14-8-4-9-15-22)32-25-24(31(27(29)30-25)18-21-12-6-3-7-13-21)26(34)33(28(32)35)20(2)23-16-10-5-11-17-23/h3-17,19-20H,18H2,1-2H3


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