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

Systemtic Name: 8-(cyclopentylamino)-3-methyl-7-[(2-methylphenyl)methyl]purine-2,6-dione Openeye Name: 8-(cyclopentylamino)-3-methyl-7-(o-tolylmethyl)purine-2,6-dione CAS Name: 8-(cyclopentylamino)-3-methyl-7-[(2-methylphenyl)methyl]purine-2,6-dione IUPAC Name: 8-(cyclopentylamino)-3-methyl-7-[(2-methylphenyl)methyl]purine-2,6-dione Traditional Name: 8-(cyclopentylamino)-3-methyl-7-(2-methylbenzyl)xanthine Formula: C19H23N5O2 MolecularWeight: 353.41822

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1CN2C3=C(N=C2NC4CCCC4)N(C(=O)NC3=O)C

Isomeric SMILES

CC1=CC=CC=C1CN2C3=C(N=C2NC4CCCC4)N(C(=O)NC3=O)C

InChI

InChI=1S/C19H23N5O2/c1-12-7-3-4-8-13(12)11-24-15-16(23(2)19(26)22-17(15)25)21-18(24)20-14-9-5-6-10-14/h3-4,7-8,14H,5-6,9-11H2,1-2H3,(H,20,21)(H,22,25,26)