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

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

Systemtic Name:3-methyl-8-[(4-methylphenyl)methylamino]-7-(phenylmethyl)purine-2,6-dione
Openeye Name:7-benzyl-3-methyl-8-(p-tolylmethylamino)purine-2,6-dione
CAS Name:3-methyl-8-[(4-methylphenyl)methylamino]-7-(phenylmethyl)purine-2,6-dione
IUPAC Name:7-benzyl-3-methyl-8-[(4-methylphenyl)methylamino]purine-2,6-dione
Traditional Name:7-benzyl-3-methyl-8-[(4-methylbenzyl)amino]xanthine
Formula: C21H21N5O2
MolecularWeight: 375.42374
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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)CNC2=NC3=C(N2CC4=CC=CC=C4)C(=O)NC(=O)N3C


Isomeric SMILES

CC1=CC=C(C=C1)CNC2=NC3=C(N2CC4=CC=CC=C4)C(=O)NC(=O)N3C


InChI

InChI=1S/C21H21N5O2/c1-14-8-10-15(11-9-14)12-22-20-23-18-17(19(27)24-21(28)25(18)2)26(20)13-16-6-4-3-5-7-16/h3-11H,12-13H2,1-2H3,(H,22,23)(H,24,27,28)


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