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1,3-bis(cyclohexylmethyl)-8-phenyl-7H-purine-2,6-dione

1,3-bis(cyclohexylmethyl)-8-phenyl-7H-purine-2,6-dione

Systemtic Name:1,3-bis(cyclohexylmethyl)-8-phenyl-7H-purine-2,6-dione
Openeye Name:1,3-bis(cyclohexylmethyl)-8-phenyl-7H-purine-2,6-dione
CAS Name:1,3-bis(cyclohexylmethyl)-8-phenyl-7H-purine-2,6-dione
IUPAC Name:1,3-bis(cyclohexylmethyl)-8-phenyl-7H-purine-2,6-dione
Traditional Name:1,3-bis(cyclohexylmethyl)-8-phenyl-7H-purine-2,6-quinone
Formula: C25H32N4O2
MolecularWeight: 420.54718
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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)CN2C3=C(C(=O)N(C2=O)CC4CCCCC4)NC(=N3)C5=CC=CC=C5


Isomeric SMILES

C1CCC(CC1)CN2C3=C(C(=O)N(C2=O)CC4CCCCC4)NC(=N3)C5=CC=CC=C5


InChI

InChI=1S/C25H32N4O2/c30-24-21-23(27-22(26-21)20-14-8-3-9-15-20)28(16-18-10-4-1-5-11-18)25(31)29(24)17-19-12-6-2-7-13-19/h3,8-9,14-15,18-19H,1-2,4-7,10-13,16-17H2,(H,26,27)


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