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

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

Systemtic Name:8-(cyclohexylamino)-3-methyl-7-(3-phenylpropyl)purine-2,6-dione
Openeye Name:8-(cyclohexylamino)-3-methyl-7-(3-phenylpropyl)purine-2,6-dione
CAS Name:8-(cyclohexylamino)-3-methyl-7-(3-phenylpropyl)purine-2,6-dione
IUPAC Name:8-(cyclohexylamino)-3-methyl-7-(3-phenylpropyl)purine-2,6-dione
Traditional Name:8-(cyclohexylamino)-3-methyl-7-(3-phenylpropyl)xanthine
Formula: C21H27N5O2
MolecularWeight: 381.47138
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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C(=O)NC1=O)N(C(=N2)NC3CCCCC3)CCCC4=CC=CC=C4


Isomeric SMILES

CN1C2=C(C(=O)NC1=O)N(C(=N2)NC3CCCCC3)CCCC4=CC=CC=C4


InChI

InChI=1S/C21H27N5O2/c1-25-18-17(19(27)24-21(25)28)26(14-8-11-15-9-4-2-5-10-15)20(23-18)22-16-12-6-3-7-13-16/h2,4-5,9-10,16H,3,6-8,11-14H2,1H3,(H,22,23)(H,24,27,28)


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