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

Systemtic Name: 3-methyl-7-(naphthalen-1-ylmethyl)-8-(phenethylamino)purine-2,6-dione Openeye Name: 3-methyl-7-(1-naphthylmethyl)-8-(phenethylamino)purine-2,6-dione CAS Name: 3-methyl-7-(1-naphthalenylmethyl)-8-(phenethylamino)purine-2,6-dione IUPAC Name: 3-methyl-7-(naphthalen-1-ylmethyl)-8-(phenethylamino)purine-2,6-dione Traditional Name: 3-methyl-7-(1-naphthylmethyl)-8-(phenethylamino)xanthine Formula: C25H23N5O2 MolecularWeight: 425.48242

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C(=O)NC1=O)N(C(=N2)NCCC3=CC=CC=C3)CC4=CC=CC5=CC=CC=C54

Isomeric SMILES

CN1C2=C(C(=O)NC1=O)N(C(=N2)NCCC3=CC=CC=C3)CC4=CC=CC5=CC=CC=C54

InChI

InChI=1S/C25H23N5O2/c1-29-22-21(23(31)28-25(29)32)30(16-19-12-7-11-18-10-5-6-13-20(18)19)24(27-22)26-15-14-17-8-3-2-4-9-17/h2-13H,14-16H2,1H3,(H,26,27)(H,28,31,32)