8-(3-methoxypropylamino)-3,7-dimethyl-1-(phenylmethyl)purine-2,6-dione

Systemtic Name: 8-(3-methoxypropylamino)-3,7-dimethyl-1-(phenylmethyl)purine-2,6-dione Openeye Name: 1-benzyl-8-(3-methoxypropylamino)-3,7-dimethyl-purine-2,6-dione CAS Name: 8-(3-methoxypropylamino)-3,7-dimethyl-1-(phenylmethyl)purine-2,6-dione IUPAC Name: 1-benzyl-8-(3-methoxypropylamino)-3,7-dimethylpurine-2,6-dione Traditional Name: 1-benzyl-8-(3-methoxypropylamino)-3,7-dimethyl-xanthine Formula: C18H23N5O3 MolecularWeight: 357.40692

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(N=C1NCCCOC)N(C(=O)N(C2=O)CC3=CC=CC=C3)C

Isomeric SMILES

CN1C2=C(N=C1NCCCOC)N(C(=O)N(C2=O)CC3=CC=CC=C3)C

InChI

InChI=1S/C18H23N5O3/c1-21-14-15(20-17(21)19-10-7-11-26-3)22(2)18(25)23(16(14)24)12-13-8-5-4-6-9-13/h4-6,8-9H,7,10-12H2,1-3H3,(H,19,20)