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

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

Systemtic Name:1,3-bis(1-phenylethyl)-7-(phenylmethyl)purine-2,6-dione
Openeye Name:7-benzyl-1,3-bis(1-phenylethyl)purine-2,6-dione
CAS Name:1,3-bis(1-phenylethyl)-7-(phenylmethyl)purine-2,6-dione
IUPAC Name:7-benzyl-1,3-bis(1-phenylethyl)purine-2,6-dione
Traditional Name:7-benzyl-1,3-bis(1-phenylethyl)xanthine
Formula: C28H26N4O2
MolecularWeight: 450.53164
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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)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)CC5=CC=CC=C5


InChI

InChI=1S/C28H26N4O2/c1-20(23-14-8-4-9-15-23)31-26-25(30(19-29-26)18-22-12-6-3-7-13-22)27(33)32(28(31)34)21(2)24-16-10-5-11-17-24/h3-17,19-21H,18H2,1-2H3


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