3-methyl-7-(naphthalen-1-ylmethyl)-8-[(2E)-2-(1-phenylethylidene)hydrazinyl]purine-2,6-dione

Systemtic Name: 3-methyl-7-(naphthalen-1-ylmethyl)-8-[(2E)-2-(1-phenylethylidene)hydrazinyl]purine-2,6-dione Openeye Name: 3-methyl-7-(1-naphthylmethyl)-8-[(2E)-2-(1-phenylethylidene)hydrazino]purine-2,6-dione CAS Name: 3-methyl-7-(1-naphthalenylmethyl)-8-[(2E)-2-(1-phenylethylidene)hydrazinyl]purine-2,6-dione IUPAC Name: 3-methyl-7-(naphthalen-1-ylmethyl)-8-[(2E)-2-(1-phenylethylidene)hydrazinyl]purine-2,6-dione Traditional Name: 3-methyl-7-(1-naphthylmethyl)-8-[(N'E)-N'-(1-phenylethylidene)hydrazino]xanthine Formula: C25H22N6O2 MolecularWeight: 438.48118

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Descriptors Computed from Structure

Canonical SMILES:

CC(=NNC1=NC2=C(N1CC3=CC=CC4=CC=CC=C43)C(=O)NC(=O)N2C)C5=CC=CC=C5

Isomeric SMILES

C/C(=N\NC1=NC2=C(N1CC3=CC=CC4=CC=CC=C43)C(=O)NC(=O)N2C)/C5=CC=CC=C5

InChI

InChI=1S/C25H22N6O2/c1-16(17-9-4-3-5-10-17)28-29-24-26-22-21(23(32)27-25(33)30(22)2)31(24)15-19-13-8-12-18-11-6-7-14-20(18)19/h3-14H,15H2,1-2H3,(H,26,29)(H,27,32,33)/b28-16+