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7-decyl-3-methyl-8-[(4-methylphenyl)methylamino]purine-2,6-dione

7-decyl-3-methyl-8-[(4-methylphenyl)methylamino]purine-2,6-dione

Systemtic Name:7-decyl-3-methyl-8-[(4-methylphenyl)methylamino]purine-2,6-dione
Openeye Name:7-decyl-3-methyl-8-(p-tolylmethylamino)purine-2,6-dione
CAS Name:7-decyl-3-methyl-8-[(4-methylphenyl)methylamino]purine-2,6-dione
IUPAC Name:7-decyl-3-methyl-8-[(4-methylphenyl)methylamino]purine-2,6-dione
Traditional Name:7-decyl-3-methyl-8-[(4-methylbenzyl)amino]xanthine
Formula: C24H35N5O2
MolecularWeight: 425.567
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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCN1C2=C(N=C1NCC3=CC=C(C=C3)C)N(C(=O)NC2=O)C


Isomeric SMILES

CCCCCCCCCCN1C2=C(N=C1NCC3=CC=C(C=C3)C)N(C(=O)NC2=O)C


InChI

InChI=1S/C24H35N5O2/c1-4-5-6-7-8-9-10-11-16-29-20-21(28(3)24(31)27-22(20)30)26-23(29)25-17-19-14-12-18(2)13-15-19/h12-15H,4-11,16-17H2,1-3H3,(H,25,26)(H,27,30,31)


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