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

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

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C(=O)N(C1=O)C)N(C(=N2)NCCCOC)CC3=CC=CC=C3

Isomeric SMILES

CN1C2=C(C(=O)N(C1=O)C)N(C(=N2)NCCCOC)CC3=CC=CC=C3

InChI

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