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

Systemtic Name: 8-(3-methoxypropylamino)-1,3-dimethyl-7-(naphthalen-1-ylmethyl)purine-2,6-dione Openeye Name: 8-(3-methoxypropylamino)-1,3-dimethyl-7-(1-naphthylmethyl)purine-2,6-dione CAS Name: 8-(3-methoxypropylamino)-1,3-dimethyl-7-(1-naphthalenylmethyl)purine-2,6-dione IUPAC Name: 8-(3-methoxypropylamino)-1,3-dimethyl-7-(naphthalen-1-ylmethyl)purine-2,6-dione Traditional Name: 8-(3-methoxypropylamino)-1,3-dimethyl-7-(1-naphthylmethyl)xanthine Formula: C22H25N5O3 MolecularWeight: 407.4656

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C(=O)N(C1=O)C)N(C(=N2)NCCCOC)CC3=CC=CC4=CC=CC=C43

Isomeric SMILES

CN1C2=C(C(=O)N(C1=O)C)N(C(=N2)NCCCOC)CC3=CC=CC4=CC=CC=C43

InChI

InChI=1S/C22H25N5O3/c1-25-19-18(20(28)26(2)22(25)29)27(21(24-19)23-12-7-13-30-3)14-16-10-6-9-15-8-4-5-11-17(15)16/h4-6,8-11H,7,12-14H2,1-3H3,(H,23,24)