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

Systemtic Name: 8-(3-imidazol-1-ylpropylamino)-3-methyl-7-(naphthalen-1-ylmethyl)purine-2,6-dione Openeye Name: 8-(3-imidazol-1-ylpropylamino)-3-methyl-7-(1-naphthylmethyl)purine-2,6-dione CAS Name: 8-[3-(1-imidazolyl)propylamino]-3-methyl-7-(1-naphthalenylmethyl)purine-2,6-dione IUPAC Name: 8-(3-imidazol-1-ylpropylamino)-3-methyl-7-(naphthalen-1-ylmethyl)purine-2,6-dione Traditional Name: 8-(3-imidazol-1-ylpropylamino)-3-methyl-7-(1-naphthylmethyl)xanthine Formula: C23H23N7O2 MolecularWeight: 429.47442

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C(=O)NC1=O)N(C(=N2)NCCCN3C=CN=C3)CC4=CC=CC5=CC=CC=C54

Isomeric SMILES

CN1C2=C(C(=O)NC1=O)N(C(=N2)NCCCN3C=CN=C3)CC4=CC=CC5=CC=CC=C54

InChI

InChI=1S/C23H23N7O2/c1-28-20-19(21(31)27-23(28)32)30(14-17-8-4-7-16-6-2-3-9-18(16)17)22(26-20)25-10-5-12-29-13-11-24-15-29/h2-4,6-9,11,13,15H,5,10,12,14H2,1H3,(H,25,26)(H,27,31,32)