8-(3-methoxypropylamino)-3,7-dimethyl-1-[(4-methylphenyl)methyl]purine-2,6-dione

Systemtic Name: 8-(3-methoxypropylamino)-3,7-dimethyl-1-[(4-methylphenyl)methyl]purine-2,6-dione Openeye Name: 8-(3-methoxypropylamino)-3,7-dimethyl-1-(p-tolylmethyl)purine-2,6-dione CAS Name: 8-(3-methoxypropylamino)-3,7-dimethyl-1-[(4-methylphenyl)methyl]purine-2,6-dione IUPAC Name: 8-(3-methoxypropylamino)-3,7-dimethyl-1-[(4-methylphenyl)methyl]purine-2,6-dione Traditional Name: 8-(3-methoxypropylamino)-3,7-dimethyl-1-(4-methylbenzyl)xanthine Formula: C19H25N5O3 MolecularWeight: 371.4335

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)CN2C(=O)C3=C(N=C(N3C)NCCCOC)N(C2=O)C

Isomeric SMILES

CC1=CC=C(C=C1)CN2C(=O)C3=C(N=C(N3C)NCCCOC)N(C2=O)C

InChI

InChI=1S/C19H25N5O3/c1-13-6-8-14(9-7-13)12-24-17(25)15-16(23(3)19(24)26)21-18(22(15)2)20-10-5-11-27-4/h6-9H,5,10-12H2,1-4H3,(H,20,21)