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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1CN2C3=C(N=C2NC4CCCCC4)N(C(=O)NC3=O)C

Isomeric SMILES

CC1=CC=CC=C1CN2C3=C(N=C2NC4CCCCC4)N(C(=O)NC3=O)C

InChI

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