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8-(cyclopentylamino)-3-methyl-7-(3-phenylpropyl)purine-2,6-dione

8-(cyclopentylamino)-3-methyl-7-(3-phenylpropyl)purine-2,6-dione

Systemtic Name:8-(cyclopentylamino)-3-methyl-7-(3-phenylpropyl)purine-2,6-dione
Openeye Name:8-(cyclopentylamino)-3-methyl-7-(3-phenylpropyl)purine-2,6-dione
CAS Name:8-(cyclopentylamino)-3-methyl-7-(3-phenylpropyl)purine-2,6-dione
IUPAC Name:8-(cyclopentylamino)-3-methyl-7-(3-phenylpropyl)purine-2,6-dione
Traditional Name:8-(cyclopentylamino)-3-methyl-7-(3-phenylpropyl)xanthine
Formula: C20H25N5O2
MolecularWeight: 367.4448
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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C(=O)NC1=O)N(C(=N2)NC3CCCC3)CCCC4=CC=CC=C4


Isomeric SMILES

CN1C2=C(C(=O)NC1=O)N(C(=N2)NC3CCCC3)CCCC4=CC=CC=C4


InChI

InChI=1S/C20H25N5O2/c1-24-17-16(18(26)23-20(24)27)25(13-7-10-14-8-3-2-4-9-14)19(22-17)21-15-11-5-6-12-15/h2-4,8-9,15H,5-7,10-13H2,1H3,(H,21,22)(H,23,26,27)


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