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6-(2-butyl-3,4,5,6-tetraethyl-phenyl)-9-(phenylmethyl)purine

6-(2-butyl-3,4,5,6-tetraethyl-phenyl)-9-(phenylmethyl)purine

Systemtic Name:6-(2-butyl-3,4,5,6-tetraethyl-phenyl)-9-(phenylmethyl)purine
Openeye Name:9-benzyl-6-(2-butyl-3,4,5,6-tetraethyl-phenyl)purine
CAS Name:6-(2-butyl-3,4,5,6-tetraethylphenyl)-9-(phenylmethyl)purine
IUPAC Name:9-benzyl-6-(2-butyl-3,4,5,6-tetraethylphenyl)purine
Traditional Name:9-benzyl-6-(2-butyl-3,4,5,6-tetraethyl-phenyl)purine
Formula: C30H38N4
MolecularWeight: 454.64952
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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=C(C(=C(C(=C1C2=C3C(=NC=N2)N(C=N3)CC4=CC=CC=C4)CC)CC)CC)CC


Isomeric SMILES

CCCCC1=C(C(=C(C(=C1C2=C3C(=NC=N2)N(C=N3)CC4=CC=CC=C4)CC)CC)CC)CC


InChI

InChI=1S/C30H38N4/c1-6-11-17-26-24(9-4)22(7-2)23(8-3)25(10-5)27(26)28-29-30(32-19-31-28)34(20-33-29)18-21-15-13-12-14-16-21/h12-16,19-20H,6-11,17-18H2,1-5H3


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