3,7-dimethyl-1-[3-[methyl(naphthalen-2-ylmethyl)amino]propyl]purine-2,6-dione

Systemtic Name: 3,7-dimethyl-1-[3-[methyl(naphthalen-2-ylmethyl)amino]propyl]purine-2,6-dione Openeye Name: 3,7-dimethyl-1-[3-[methyl(2-naphthylmethyl)amino]propyl]purine-2,6-dione CAS Name: 3,7-dimethyl-1-[3-[methyl(2-naphthalenylmethyl)amino]propyl]purine-2,6-dione IUPAC Name: 3,7-dimethyl-1-[3-[methyl(naphthalen-2-ylmethyl)amino]propyl]purine-2,6-dione Traditional Name: 3,7-dimethyl-1-[3-[methyl(2-naphthylmethyl)amino]propyl]xanthine Formula: C22H25N5O2 MolecularWeight: 391.4662

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Descriptors Computed from Structure

Canonical SMILES:

CN1C=NC2=C1C(=O)N(C(=O)N2C)CCCN(C)CC3=CC4=CC=CC=C4C=C3

Isomeric SMILES

CN1C=NC2=C1C(=O)N(C(=O)N2C)CCCN(C)CC3=CC4=CC=CC=C4C=C3

InChI

InChI=1S/C22H25N5O2/c1-24(14-16-9-10-17-7-4-5-8-18(17)13-16)11-6-12-27-21(28)19-20(23-15-25(19)2)26(3)22(27)29/h4-5,7-10,13,15H,6,11-12,14H2,1-3H3