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

Systemtic Name: 8-(3-methoxypropylamino)-1,3-dimethyl-7-[(2-methylphenyl)methyl]purine-2,6-dione Openeye Name: 8-(3-methoxypropylamino)-1,3-dimethyl-7-(o-tolylmethyl)purine-2,6-dione CAS Name: 8-(3-methoxypropylamino)-1,3-dimethyl-7-[(2-methylphenyl)methyl]purine-2,6-dione IUPAC Name: 8-(3-methoxypropylamino)-1,3-dimethyl-7-[(2-methylphenyl)methyl]purine-2,6-dione Traditional Name: 8-(3-methoxypropylamino)-1,3-dimethyl-7-(2-methylbenzyl)xanthine Formula: C19H25N5O3 MolecularWeight: 371.4335

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1CN2C3=C(N=C2NCCCOC)N(C(=O)N(C3=O)C)C

Isomeric SMILES

CC1=CC=CC=C1CN2C3=C(N=C2NCCCOC)N(C(=O)N(C3=O)C)C

InChI

InChI=1S/C19H25N5O3/c1-13-8-5-6-9-14(13)12-24-15-16(21-18(24)20-10-7-11-27-4)22(2)19(26)23(3)17(15)25/h5-6,8-9H,7,10-12H2,1-4H3,(H,20,21)