3-methyl-8-[2-(5-methyl-2-oxidanylidene-indol-3-yl)hydrazinyl]-7-(3-naphthalen-2-yloxy-2-oxidanyl-propyl)purine-2,6-dione

Systemtic Name: 3-methyl-8-[2-(5-methyl-2-oxidanylidene-indol-3-yl)hydrazinyl]-7-(3-naphthalen-2-yloxy-2-oxidanyl-propyl)purine-2,6-dione Openeye Name: 7-[2-hydroxy-3-(2-naphthyloxy)propyl]-3-methyl-8-[2-(5-methyl-2-oxo-indol-3-yl)hydrazino]purine-2,6-dione CAS Name: 7-[2-hydroxy-3-(2-naphthalenyloxy)propyl]-3-methyl-8-[(5-methyl-2-oxo-3-indolyl)hydrazo]purine-2,6-dione IUPAC Name: 7-(2-hydroxy-3-naphthalen-2-yloxypropyl)-3-methyl-8-[2-(5-methyl-2-oxoindol-3-yl)hydrazinyl]purine-2,6-dione Traditional Name: 7-[2-hydroxy-3-(2-naphthoxy)propyl]-8-[N'-(2-keto-5-methyl-indol-3-yl)hydrazino]-3-methyl-xanthine Formula: C28H25N7O5 MolecularWeight: 539.542

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(C(=O)N=C2C=C1)NNC3=NC4=C(N3CC(COC5=CC6=CC=CC=C6C=C5)O)C(=O)NC(=O)N4C

Isomeric SMILES

CC1=CC2=C(C(=O)N=C2C=C1)NNC3=NC4=C(N3CC(COC5=CC6=CC=CC=C6C=C5)O)C(=O)NC(=O)N4C

InChI

InChI=1S/C28H25N7O5/c1-15-7-10-21-20(11-15)22(25(37)29-21)32-33-27-30-24-23(26(38)31-28(39)34(24)2)35(27)13-18(36)14-40-19-9-8-16-5-3-4-6-17(16)12-19/h3-12,18,36H,13-14H2,1-2H3,(H,30,33)(H,29,32,37)(H,31,38,39)