8-(diethylaminomethyl)-3-methyl-7-(naphthalen-1-ylmethyl)purine-2,6-dione

Systemtic Name: 8-(diethylaminomethyl)-3-methyl-7-(naphthalen-1-ylmethyl)purine-2,6-dione Openeye Name: 8-(diethylaminomethyl)-3-methyl-7-(1-naphthylmethyl)purine-2,6-dione CAS Name: 8-(diethylaminomethyl)-3-methyl-7-(1-naphthalenylmethyl)purine-2,6-dione IUPAC Name: 8-(diethylaminomethyl)-3-methyl-7-(naphthalen-1-ylmethyl)purine-2,6-dione Traditional Name: 8-(diethylaminomethyl)-3-methyl-7-(1-naphthylmethyl)xanthine Formula: C22H25N5O2 MolecularWeight: 391.4662

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)CC1=NC2=C(N1CC3=CC=CC4=CC=CC=C43)C(=O)NC(=O)N2C

Isomeric SMILES

CCN(CC)CC1=NC2=C(N1CC3=CC=CC4=CC=CC=C43)C(=O)NC(=O)N2C

InChI

InChI=1S/C22H25N5O2/c1-4-26(5-2)14-18-23-20-19(21(28)24-22(29)25(20)3)27(18)13-16-11-8-10-15-9-6-7-12-17(15)16/h6-12H,4-5,13-14H2,1-3H3,(H,24,28,29)