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

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

Systemtic Name:8-(cyclopentylamino)-1,3-diethyl-7-(phenylmethyl)purine-2,6-dione
Openeye Name:7-benzyl-8-(cyclopentylamino)-1,3-diethyl-purine-2,6-dione
CAS Name:8-(cyclopentylamino)-1,3-diethyl-7-(phenylmethyl)purine-2,6-dione
IUPAC Name:7-benzyl-8-(cyclopentylamino)-1,3-diethylpurine-2,6-dione
Traditional Name:7-benzyl-8-(cyclopentylamino)-1,3-diethyl-xanthine
Formula: C21H27N5O2
MolecularWeight: 381.47138
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Descriptors Computed from Structure

Canonical SMILES:

CCN1C2=C(C(=O)N(C1=O)CC)N(C(=N2)NC3CCCC3)CC4=CC=CC=C4


Isomeric SMILES

CCN1C2=C(C(=O)N(C1=O)CC)N(C(=N2)NC3CCCC3)CC4=CC=CC=C4


InChI

InChI=1S/C21H27N5O2/c1-3-24-18-17(19(27)25(4-2)21(24)28)26(14-15-10-6-5-7-11-15)20(23-18)22-16-12-8-9-13-16/h5-7,10-11,16H,3-4,8-9,12-14H2,1-2H3,(H,22,23)


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