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

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

Systemtic Name:8-(hexylamino)-3-methyl-7-[(3-methylphenyl)methyl]purine-2,6-dione
Openeye Name:8-(hexylamino)-3-methyl-7-(m-tolylmethyl)purine-2,6-dione
CAS Name:8-(hexylamino)-3-methyl-7-[(3-methylphenyl)methyl]purine-2,6-dione
IUPAC Name:8-(hexylamino)-3-methyl-7-[(3-methylphenyl)methyl]purine-2,6-dione
Traditional Name:8-(hexylamino)-3-methyl-7-(3-methylbenzyl)xanthine
Formula: C20H27N5O2
MolecularWeight: 369.46068
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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCNC1=NC2=C(N1CC3=CC=CC(=C3)C)C(=O)NC(=O)N2C


Isomeric SMILES

CCCCCCNC1=NC2=C(N1CC3=CC=CC(=C3)C)C(=O)NC(=O)N2C


InChI

InChI=1S/C20H27N5O2/c1-4-5-6-7-11-21-19-22-17-16(18(26)23-20(27)24(17)3)25(19)13-15-10-8-9-14(2)12-15/h8-10,12H,4-7,11,13H2,1-3H3,(H,21,22)(H,23,26,27)


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