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8-(cyclohexylamino)-3-methyl-7-[(3-methylphenyl)methyl]purine-2,6-dione

8-(cyclohexylamino)-3-methyl-7-[(3-methylphenyl)methyl]purine-2,6-dione

Systemtic Name:8-(cyclohexylamino)-3-methyl-7-[(3-methylphenyl)methyl]purine-2,6-dione
Openeye Name:8-(cyclohexylamino)-3-methyl-7-(m-tolylmethyl)purine-2,6-dione
CAS Name:8-(cyclohexylamino)-3-methyl-7-[(3-methylphenyl)methyl]purine-2,6-dione
IUPAC Name:8-(cyclohexylamino)-3-methyl-7-[(3-methylphenyl)methyl]purine-2,6-dione
Traditional Name:8-(cyclohexylamino)-3-methyl-7-(3-methylbenzyl)xanthine
Formula: C20H25N5O2
MolecularWeight: 367.4448
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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)CN2C3=C(N=C2NC4CCCCC4)N(C(=O)NC3=O)C


Isomeric SMILES

CC1=CC(=CC=C1)CN2C3=C(N=C2NC4CCCCC4)N(C(=O)NC3=O)C


InChI

InChI=1S/C20H25N5O2/c1-13-7-6-8-14(11-13)12-25-16-17(24(2)20(27)23-18(16)26)22-19(25)21-15-9-4-3-5-10-15/h6-8,11,15H,3-5,9-10,12H2,1-2H3,(H,21,22)(H,23,26,27)


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