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

Systemtic Name: 1,3-dimethyl-7-[(4-methylphenyl)methyl]-8-(3-propan-2-yloxypropylamino)purine-2,6-dione Openeye Name: 8-(3-isopropoxypropylamino)-1,3-dimethyl-7-(p-tolylmethyl)purine-2,6-dione CAS Name: 1,3-dimethyl-7-[(4-methylphenyl)methyl]-8-(3-propan-2-yloxypropylamino)purine-2,6-dione IUPAC Name: 1,3-dimethyl-7-[(4-methylphenyl)methyl]-8-(3-propan-2-yloxypropylamino)purine-2,6-dione Traditional Name: 8-(3-isopropoxypropylamino)-1,3-dimethyl-7-(4-methylbenzyl)xanthine Formula: C21H29N5O3 MolecularWeight: 399.48666

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)CN2C3=C(N=C2NCCCOC(C)C)N(C(=O)N(C3=O)C)C

Isomeric SMILES

CC1=CC=C(C=C1)CN2C3=C(N=C2NCCCOC(C)C)N(C(=O)N(C3=O)C)C

InChI

InChI=1S/C21H29N5O3/c1-14(2)29-12-6-11-22-20-23-18-17(19(27)25(5)21(28)24(18)4)26(20)13-16-9-7-15(3)8-10-16/h7-10,14H,6,11-13H2,1-5H3,(H,22,23)