8-(butylamino)-1,3-dimethyl-7-[(3-methylphenyl)methyl]purine-2,6-dione

Systemtic Name: 8-(butylamino)-1,3-dimethyl-7-[(3-methylphenyl)methyl]purine-2,6-dione Openeye Name: 8-(butylamino)-1,3-dimethyl-7-(m-tolylmethyl)purine-2,6-dione CAS Name: 8-(butylamino)-1,3-dimethyl-7-[(3-methylphenyl)methyl]purine-2,6-dione IUPAC Name: 8-(butylamino)-1,3-dimethyl-7-[(3-methylphenyl)methyl]purine-2,6-dione Traditional Name: 8-(butylamino)-1,3-dimethyl-7-(3-methylbenzyl)xanthine Formula: C19H25N5O2 MolecularWeight: 355.4341

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Descriptors Computed from Structure

Canonical SMILES:

CCCCNC1=NC2=C(N1CC3=CC=CC(=C3)C)C(=O)N(C(=O)N2C)C

Isomeric SMILES

CCCCNC1=NC2=C(N1CC3=CC=CC(=C3)C)C(=O)N(C(=O)N2C)C

InChI

InChI=1S/C19H25N5O2/c1-5-6-10-20-18-21-16-15(17(25)23(4)19(26)22(16)3)24(18)12-14-9-7-8-13(2)11-14/h7-9,11H,5-6,10,12H2,1-4H3,(H,20,21)