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

Systemtic Name: 3,7-dimethyl-1-[(4-methylphenyl)methyl]-8-(3-oxidanylpropylamino)purine-2,6-dione Openeye Name: 8-(3-hydroxypropylamino)-3,7-dimethyl-1-(p-tolylmethyl)purine-2,6-dione CAS Name: 8-(3-hydroxypropylamino)-3,7-dimethyl-1-[(4-methylphenyl)methyl]purine-2,6-dione IUPAC Name: 8-(3-hydroxypropylamino)-3,7-dimethyl-1-[(4-methylphenyl)methyl]purine-2,6-dione Traditional Name: 8-(3-hydroxypropylamino)-3,7-dimethyl-1-(4-methylbenzyl)xanthine Formula: C18H23N5O3 MolecularWeight: 357.40692

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H23N5O3/c1-12-5-7-13(8-6-12)11-23-16(25)14-15(22(3)18(23)26)20-17(21(14)2)19-9-4-10-24/h5-8,24H,4,9-11H2,1-3H3,(H,19,20)