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

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

Systemtic Name:8-(cyclohexylamino)-1,3-diethyl-7-(phenylmethyl)purine-2,6-dione
Openeye Name:7-benzyl-8-(cyclohexylamino)-1,3-diethyl-purine-2,6-dione
CAS Name:8-(cyclohexylamino)-1,3-diethyl-7-(phenylmethyl)purine-2,6-dione
IUPAC Name:7-benzyl-8-(cyclohexylamino)-1,3-diethylpurine-2,6-dione
Traditional Name:7-benzyl-8-(cyclohexylamino)-1,3-diethyl-xanthine
Formula: C22H29N5O2
MolecularWeight: 395.49796
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Descriptors Computed from Structure

Canonical SMILES:

CCN1C2=C(C(=O)N(C1=O)CC)N(C(=N2)NC3CCCCC3)CC4=CC=CC=C4


Isomeric SMILES

CCN1C2=C(C(=O)N(C1=O)CC)N(C(=N2)NC3CCCCC3)CC4=CC=CC=C4


InChI

InChI=1S/C22H29N5O2/c1-3-25-19-18(20(28)26(4-2)22(25)29)27(15-16-11-7-5-8-12-16)21(24-19)23-17-13-9-6-10-14-17/h5,7-8,11-12,17H,3-4,6,9-10,13-15H2,1-2H3,(H,23,24)


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